4-Chlorobenzoic Acid → HCID 59514566, compound
Reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl:1][c:2]1[n:3][c:4]([CH2:16][c:17]2[cH:18][cH:19][c:20]([NH:23][CH3:24])[cH:21][cH:22]2)[n:5][c:6]([N:13]([CH3:14])[CH3:15])[c:7]1[CH2:8][C:9](=[O:10])[O:11][CH3:12].[OH:25][n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[OH:42][C:43](=[O:44])[c:45]1[cH:46][cH:47][c:48]([Cl:49])[cH:50][cH:51]1>>[Cl:1][c:2]1[n:3][c:4]([CH2:16][c:17]2[cH:18][cH:19][c:20]([N:23]([CH3:24])[C:43](=[O:42])[c:45]3[cH:46][cH:47][c:48]([Cl:49])[cH:50][cH:51]3)[cH:21][cH:22]2)[n:5][c:6]([N:13]([CH3:14])[CH3:15])[c:7]1[CH2:8][C:9](=[O:10])[O:11][CH3:12]Participants
6
Sources & evidence
- ORD record
- ord-a22c598e4e1c45fb82a26a6d47e03c0b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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