4-Aminobenzoic Acid → 4-[(2-Oxo-6-{3-[(thiophene-2-carbonyl)-amino]-benzoyl}-1,2-dihydro-indol-3-ylidenemethyl)-amino]-benzoic acid

HRID 1537263Notes

Reaction equation

HRID 1537263 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[NH2:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38]1.[OH:1][CH:2]=[C:3]1[C:4](=[O:28])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[s:24][cH:25][cH:26][cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21>>[CH:2](=[C:3]1[C:4](=[O:28])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[s:24][cH:25][cH:26][cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21)[NH:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38]1

Participants

4

Reactant 3

HCID 9784-Aminobenzoic AcidHCID 8028TetrahydrofuranHCID 178517289N-[3-[3-(hydroxymethylidene)-2-oxo-1H-indole-6-carbonyl]phenyl]thiophene-2-carboxamide

Product 1

HCID 686984204-[(2-Oxo-6-{3-[(thiophene-2-carbonyl)-amino]-benzoyl}-1,2-dihydro-indol-3-ylidenemethyl)-amino]-benzoic acid

Sources & evidence

ORD record
ord-5602ce7397084716acac3cca3df4d8a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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