4-Chlorobenzoic Acid → HCID 67773869, compound
Reaction equation
[B-:20]([F:21])([F:22])([F:23])[F:24].[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH:42]1([CH:46]([CH2:47][N:48]2[CH2:49][CH:50]([OH:52])[CH2:51]2)[NH:53][CH3:54])[CH2:43][CH2:44][CH2:45]1.[Cl:55][CH2:56][Cl:57].[OH:10][C:11](=[O:12])[c:13]1[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[C:11](=[O:12])([c:13]1[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]1)[N:53]([CH:46]([CH:42]1[CH2:43][CH2:44][CH2:45]1)[CH2:47][N:48]1[CH2:49][CH:50]([OH:52])[CH2:51]1)[CH3:54]Participants
8
Sources & evidence
- ORD record
- ord-f508b35405f0482c8e1538f81dcc30af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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