4-Chlorophenol → HCID 76672781, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH:13]([CH:14]([CH3:15])[CH3:16])[OH:17])[CH2:11][CH2:12]1.[CH3:59][CH:60]1[CH2:61][CH2:62][CH2:63][O:64]1.[Cl:37][c:38]1[cH:39][cH:40][c:41]([OH:44])[cH:42][cH:43]1.[O:45]=[C:46]([O:47][CH:48]([CH3:49])[CH3:50])[N:51]=[N:52][C:53]([O:54][CH:55]([CH3:56])[CH3:57])=[O:58].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH:13]([CH:14]([CH3:15])[CH3:16])[O:17][c:41]2[cH:40][cH:39][c:38]([Cl:37])[cH:43][cH:42]2)[CH2:11][CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-4958d814a2d9479fb1466a3626a6965d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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