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Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
1 step
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
19 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
7 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
4 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
10 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
10 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
10 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
16 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
10 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
10 steps
Depiction
Dead-End Product
C(=C=C=C(O)C(=O)O)C(O)=O
Depiction
Upstream Precursor
C(C(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)O…
Depth 1
Depiction
Product
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depiction
Upstream Precursor
C(C(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)O…
Depth 2
Depiction
Product
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depiction
Upstream Precursor
C(C(=O)C1=C2C(=C(C=C1)OCC(CN3CC[N+](CC3)(C(=O)C=CC4=CC(=C(C(=…
Depth 2
Depiction
Product
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depiction
Upstream Precursor
C(C(=O)C1=C2C(=C(C=C1)OCC(C[N+]3(CCN(CC3)C(=O)C=CC4=CC(=C(C(=…
Depth 2
Depiction
Product
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depiction
Upstream Precursor
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CC[N+](CC3)(C(=O)C=CC4=CC(=C(C(=C…
Depth 1
Depiction
Product
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depiction
Upstream Precursor
CC(=O)C1=C2C(=C(C=C1)OCC(C[N+]3(CCN(CC3)C(=O)C=CC4=CC(=C(C(=C…
Depth 1
Depiction
Product
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depiction
Upstream Precursor
CC(=O)C1=C2C(=C(C=C1)OCC(C[N+]3(CC[N+](CC3)(C(=O)C=CC4=CC(=C(…
Depth 2
Depiction
Product
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 1
Depiction
Downstream Successor
Methanol
CO
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 2
Depiction
Downstream Successor
Ethylene Glycol
C(CO)O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 2
Depiction
Downstream Successor
Piperazine
C1CNCCN1
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 2
Depiction
Downstream Successor
Glyceraldehyde
C(C(O)CO)=O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 3
Depiction
Downstream Successor
2-((2-Aminoethyl)amino)acetaldehyde
C(CN)NCC=O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 3
Depiction
Downstream Successor
4-Hydroxypiperazine
N1(CCNCC1)O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 3
Depiction
Downstream Successor
3,4,5-Trimethoxybenzoic Acid
C(C1=CC(=C(C(=C1)OC)OC)OC)(O)=O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 1
Depiction
Downstream Successor
Cinepazide Impurity G
OC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 2
Depiction
Downstream Successor
3-(3-Hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid
COc1cc(cc(c1OC)O)C=CC(=O)O
Depiction
Precursor
1-(4-{3-[(8-Acetyl-2,3-dihydro-1,4-benzodioxin-5-YL)oxy]-2-hydroxypropyl}piperazin-1-YL)-3-(3,4,5-trimethoxyphenyl)prop-2-EN-1-one
CC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC…
Depth 1
Depiction
Downstream Successor
1-(2,3-Dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-one
CC(=O)C1=C2C(=C(C=C1)O)OCCO2
No Original Precursors

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