Benzoic Acid → HCID 85101285, compound

Reaction equation

[CH2:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:1](=[O:2])[c:3]1[cH:4][c:5](-[c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7][cH:8]1.[OH2:45].[OH:29][C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:37].[S:16]1[C:17](=[O:22])[NH:18][C:19](=[O:21])[CH2:20]1>>[CH:1]([c:3]1[cH:4][c:5](-[c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7][cH:8]1)=[C:20]1[S:16][C:17](=[O:22])[NH:18][C:19]1=[O:21]

Participants

Reactant 6

HCID 243Benzoic Acid

HCID 962Water

HCID 1140Toluene

HCID 5437Thiazolidinedione

HCID 8082Piperidine

HCID 13936662'-Chloro[1,1'-biphenyl]-3-carbaldehyde

Product 1

HCID 85101285HCID 85101285, compound

Sources & evidence

ORD record: ord-ec2a141b3392457db505044df7f9638e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…