Phenol → HCID 10113034, compound
Reaction equation
[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[n:11]([CH:19]([CH3:20])[CH3:21])[c:12](=[O:18])[n:13]([CH3:17])[c:14]2[CH2:15][OH:16])[cH:5][c:6]([Cl:8])[cH:7]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[n:11]([CH:19]([CH3:20])[CH3:21])[c:12](=[O:18])[n:13]([CH3:17])[c:14]2[CH2:15][c:24]2[c:23]([OH:22])[cH:28][cH:27][cH:26][cH:25]2)[cH:5][c:6]([Cl:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-268dc9cbbb4c4c90b50af244578cb79a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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