Hydrochloric Acid → 6-Methoxy-1-methyl-1-trifluoromethylisochroman
Reaction equation
[CH3:19][S:20](=[O:21])(=[O:22])[Cl:23].[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([C:30]([OH:31])([CH3:32])[C:33]([F:34])([F:35])[F:36])[c:37]([CH2:38][CH2:39][O:40][S:41]([CH3:42])(=[O:43])=[O:44])[cH:45]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:47][CH2:48][Cl:49].[ClH:46].[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[c:7]([CH2:14][CH2:15][OH:16])[cH:8][c:9]([O:12][CH3:13])[cH:10][cH:11]1)([F:17])[F:18]>>[F:1][C:2]([C:3]1([CH3:4])[c:6]2[c:7]([cH:8][c:9]([O:12][CH3:13])[cH:10][cH:11]2)[CH2:14][CH2:15][O:16]1)([F:17])[F:18]Participants
7
Sources & evidence
- ORD record
- ord-4509c755ed6c4ca0a7baed937280f6f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…