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Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
9 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
9 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
15 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
15 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
11 steps
Depiction
Dead-End Product
WCJLIWFWHPOTAC-UHFFFAOYSA-N
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Upstream Precursor
XQXMGZBXNSTBKP-UHFFFAOYSA-N
Plerixafor N-Oxide
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[N+]3(CCCNCCNCCCNCC3)[O-]
Depth 1
Depiction
Product
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depiction
Upstream Precursor
KIDUSSOKWVQGCT-UHFFFAOYSA-N
Plerixafor Impurity V
C1CNCCNCCC[N+](CCNC1)(CC2=CC=C(C=C2)C[N+]3(CCCNCCNCCCNCC3)[O-])[O-]
Depth 2
Depiction
Product
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3

Previewing top 2 entries. If you want the full results, please use the download button above.

Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 3
Depiction
Downstream Successor
OAKURXIZZOAYBC-UHFFFAOYSA-N
3-Oxopropanoic acid
OC(=O)CC=O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 3
Depiction
Downstream Successor
XFNJVJPLKCPIBV-UHFFFAOYSA-N
1,3-Propanediamine
C(CN)CN
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 3
Depiction
Downstream Successor
GOUHYARYYWKXHS-UHFFFAOYSA-N
4-Formylbenzoic acid
O=CC1=CC=C(C=C1)C(=O)O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 1
Depiction
Downstream Successor
MDAXKAUIABOHTD-UHFFFAOYSA-N
1,4,8,11-Tetraazacyclotetradecane
N1CCCNCCNCCCNCC1
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 3
Depiction
Downstream Successor
WWYFPDXEIFBNKE-UHFFFAOYSA-N
4-(Hydroxymethyl)benzoic acid
C(c1ccc(cc1)CO)(O)=O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 2
Depiction
Downstream Successor
ZFHUHPNDGVGXMS-UHFFFAOYSA-N
4-(Hydroxymethyl)benzaldehyde
OCC1=CC=C(C=C1)C=O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 2
Depiction
Downstream Successor
BWVAOONFBYYRHY-UHFFFAOYSA-N
1,4-Benzenedimethanol
OCC1=CC=C(C=C1)CO
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 2
Depiction
Downstream Successor
JEQDSCONBPVPNK-UHFFFAOYSA-N
N1CCCNCCNCCCN(CC1)Cl
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 2
Depiction
Downstream Successor
YMBNEKMVWWUICO-UHFFFAOYSA-N
N1CCCNCCNCCCN(CC1)O
Depiction
Precursor
YIQPUIGJQJDJOS-UHFFFAOYSA-O
1-[[4-(1,4,11-Triaza-8-azoniacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C[NH+]3CCCNCCNCCCNCC3
Depth 2
Depiction
Downstream Successor
KUCOHFSKRZZVRO-UHFFFAOYSA-N
Terephthalaldehyde
C1=CC(=CC=C1C=O)C=O

Previewing top 10 entries. If you want the full results, please use the download button above.

No Original Precursors

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