Benzoic Acid → HCID 178467454, compound
Reaction equation
[CH2:14]([CH3:15])[O:16][c:17]1[n:18][c:19]([NH:29][CH3:30])[n:20][c:21]2[cH:22][cH:23][c:24]([CH:27]=[O:28])[cH:25][c:26]12.[CH2:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[OH:31][C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39].[s:1]1[c:2]([CH2:6][NH:7][C:8]2=[N:12][C:11](=[O:13])[CH2:10][S:9]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][NH:7][C:8]2=[N:12][C:11](=[O:13])[C:10](=[CH:27][c:24]3[cH:23][cH:22][c:21]4[n:20][c:19]([NH:29][CH3:30])[n:18][c:17]([O:16][CH2:14][CH3:15])[c:26]4[cH:25]3)[S:9]2)[cH:3][cH:4][cH:5]1Participants
6
Sources & evidence
- ORD record
- ord-faf21726f01142d4877f793ccc5a0226
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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