Phenol → HCID 20448802, compound
Reaction equation
[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:36]1([N:37]=[C:38]=[N:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cl:51][CH2:52][Cl:53].[O:1]1[CH:2]([O:7][CH:8]2[CH:9]=[C:10]([S:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[C:11](=[O:13])[CH2:12]2)[CH2:3][CH2:4][CH2:5][CH2:6]1.[OH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[O:1]1[CH:2]([O:7][CH:8]2[CH:9]=[C:10]([S:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[C:11](=[O:13])[CH2:12]2)[CH2:3][CH2:4][CH2:5][CH2:6]1Participants
7
Sources & evidence
- ORD record
- ord-db859cb22e3d4ceb89e5d148415b77e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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