Benzoic Acid → HCID 24804586, compound
Reaction equation
[CH3:10][CH2:11][N:12]=[C:13]=[N:14][CH2:15][CH2:16][CH2:17][N:18]([CH3:19])[CH3:20].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cl:45][CH2:46][Cl:47].[ClH:28].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[s:29]1[c:30](-[c:34]2[n:35][o:36][c:37]([CH:39]3[CH2:40][CH2:41][NH2+:42][CH2:43][CH2:44]3)[n:38]2)[cH:31][cH:32][cH:33]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:42]1[CH2:41][CH2:40][CH:39]([c:37]2[o:36][n:35][c:34](-[c:30]3[s:29][cH:33][cH:32][cH:31]3)[n:38]2)[CH2:44][CH2:43]1Participants
7
Sources & evidence
- ORD record
- ord-41708aa095304834beeee6adb46fd695
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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