3-Chlorobenzoic Acid → HCID 10109850, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][S:24][CH3:25])[c:7]2[c:8]([c:9]([NH2:17])[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:18]1.[CH:47]([Cl:48])([Cl:49])[Cl:50].[OH:26][O:27][C:28]([c:29]1[cH:30][c:31]([Cl:32])[cH:33][cH:34][cH:35]1)=[O:36].[OH:37][C:38]([c:39]1[cH:40][c:41]([Cl:42])[cH:43][cH:44][cH:45]1)=[O:46]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][S:24]([CH3:25])=[O:26])[c:7]2[c:8]([c:9]([NH2:17])[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:18]1Participants
5
Sources & evidence
- ORD record
- ord-606e6e201d7342f1b6fe309ad5d5e365
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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