4-Chlorobenzoic Acid → HCID 67818656, compound
Reaction equation
[B-:11]([F:12])([F:13])([F:14])[F:15].[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH:42]([CH3:43])([CH3:44])[NH:45][CH:46]([CH2:47][N:48]1[CH2:49][CH:50]([OH:52])[CH2:51]1)[CH2:53][CH2:54][CH3:55].[Cl:56][CH2:57][Cl:58].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1.[n:16]1([O:17][C:18]([N:19]([CH3:20])[CH3:21])=[N+:22]([CH3:23])[CH3:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[N:45]([CH:42]([CH3:43])[CH3:44])[CH:46]([CH2:47][N:48]1[CH2:49][CH:50]([OH:52])[CH2:51]1)[CH2:53][CH2:54][CH3:55]Participants
7
Sources & evidence
- ORD record
- ord-63e65d5c80154adfa72d9223ad122189
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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