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Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
12 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
9 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
6 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
2 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
12 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
23 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
9 steps
Depiction
Dead-End Product
3-[2-Carboxyethyl(chloro)amino]propanoic acid
C(=O)(CCN(CCC(O)=O)Cl)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
10 steps
Depiction
Dead-End Product
C(C(O)=O)C[N+](=CCC(=O)O)[O-]
Depiction
Upstream Precursor
CC1(C(N2C(S1=O)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 1
Depiction
Product
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depiction
Upstream Precursor
CC1(C(N2C([S+]1Cl)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 2
Depiction
Product
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depiction
Upstream Precursor
CC1(C(N2C(S1(=O)=O)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 2
Depiction
Product
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 3
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 2
Depiction
Downstream Successor
Methanediol
C(O)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 1
Depiction
Downstream Successor
Pivalic acid
C(C(C)(C)C)(O)=O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 2
Depiction
Downstream Successor
6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid
CC1(C([NH+]2C(S1)C(C2=O)N)C(=O)O)C
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 2
Depiction
Downstream Successor
Azepane
N1CCCCCC1
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 3
Depiction
Downstream Successor
C(C(S)(C)C)(C(=O)O)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 3
Depiction
Downstream Successor
2,3-Dihydroxy-3-methylbutanoic acid
CC(C)(C(C(=O)O)O)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 3
Depiction
Downstream Successor
6-Aminohexanal
O=CCCCCCN
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 3
Depiction
Downstream Successor
6-Amino-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
NC1C2N(C1=O)C(C(S2=O)(C)C)C(=O)O
Depiction
Precursor
2,2-Dimethylpropanoyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Depth 3
Depiction
Downstream Successor
2-(Amino(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
NC(C1NC(C(S1)(C)C)C(=O)O)C(=O)O
No Original Precursors

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