Hydrochloric Acid → 5-(4-[(4-phenoxybenzyl)oxy]methylphenyl)isothiazol-3(2H)-one 1,1-dioxide
Reaction equation
[CH2:32]([SiH:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[ClH:39].[O:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31]1.[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9]2=[CH:10][C:11](=[O:16])[NH:12][S:13]2(=[O:14])=[O:15])[cH:7][cH:8]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9]2=[CH:10][C:11](=[O:16])[NH:12][S:13]2(=[O:14])=[O:15])[cH:7][cH:8]1)[CH2:28][c:27]1[cH:26][cH:25][c:24]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:31][cH:30]1Participants
6
Sources & evidence
- ORD record
- ord-a4395aede622413ca0710c15a3fc5a9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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