Benzoic Acid → HCID 178467455, compound
Reaction equation
[CH2:15]([CH3:16])[O:17][c:18]1[n:19][c:20]([NH:30][CH3:31])[n:21][c:22]2[cH:23][cH:24][c:25]([CH:28]=[O:29])[cH:26][c:27]12.[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[CH3:1][c:2]1[c:3]([CH2:7][NH:8][C:9]2=[N:13][C:12](=[O:14])[CH2:11][S:10]2)[s:4][cH:5][cH:6]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[OH:32][C:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)=[O:40]>>[CH3:1][c:2]1[c:3]([CH2:7][NH:8][C:9]2=[N:13][C:12](=[O:14])[C:11](=[CH:28][c:25]3[cH:24][cH:23][c:22]4[n:21][c:20]([NH:30][CH3:31])[n:19][c:18]([O:17][CH2:15][CH3:16])[c:27]4[cH:26]3)[S:10]2)[s:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-c5a4483699764110850013bb7ec12bc2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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