Benzoic Acid → HCID 59694170, compound
Reaction equation
[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[ClH:37].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:26].[OH2:69].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[OH:49][C:50](=[O:51])[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[nH:1]1[c:2]([CH2:10][N:11]([CH2:12][CH2:13][CH2:14][NH2:15])[CH:16]2[CH2:17][CH2:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][n:24][c:25]32)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[nH:1]1[c:2]([CH2:10][N:11]([CH2:12][CH2:13][CH2:14][NH:15][C:50](=[O:49])[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[CH:16]2[CH2:17][CH2:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][n:24][c:25]32)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2Participants
9
Sources & evidence
- ORD record
- ord-ddcea04f51884ef59a4b870c6fabaf53
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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