Acetic Acid → 7-[2-(tert-butyldimethylsilanyloxy)ethylamino]-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one
Reaction equation
[B:38]([C:39]#[N:40])([O-:41])[O-:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]=[O:9])([CH3:10])[CH3:11].[C:45](=[O:46])([OH:47])[O-:48].[CH3:12][C:13](=[O:14])[OH:15].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][OH:57].[NH2:16][c:17]1[cH:18][cH:19][c:20]2[cH:21][c:22](-[c:28]3[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]3)[nH:23][c:24](=[O:27])[c:25]2[cH:26]1.[Na+:43].[Na+:44].[Na+:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][NH:16][c:17]1[cH:18][cH:19][c:20]2[cH:21][c:22](-[c:28]3[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]3)[nH:23][c:24](=[O:27])[c:25]2[cH:26]1)([CH3:10])[CH3:11]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-cc8e49f9d1be48fda47f8cd21bdeb34c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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