Hydrochloric Acid → 1-Chloro-isoquinoline-5-sulfonic acid {2-[2-(2-trifluoromethyl-phenoxy)-ethylamino]-ethyl}-amide
Reaction equation
[BH4-:34].[CH3:36][OH:37].[ClH:15].[F:1][C:2]([c:3]1[c:4]([O:5][CH2:6][CH:7]=[O:8])[cH:9][cH:10][cH:11][cH:12]1)([F:13])[F:14].[NH2:16][CH2:17][CH2:18][NH:19][S:20](=[O:21])(=[O:22])[c:23]1[c:24]2[cH:25][cH:26][n:27][c:28]([Cl:33])[c:29]2[cH:30][cH:31][cH:32]1.[Na+:35]>>[F:1][C:2]([c:3]1[c:4]([O:5][CH2:6][CH2:7][NH:16][CH2:17][CH2:18][NH:19][S:20](=[O:21])(=[O:22])[c:23]2[c:24]3[cH:25][cH:26][n:27][c:28]([Cl:33])[c:29]3[cH:30][cH:31][cH:32]2)[cH:9][cH:10][cH:11][cH:12]1)([F:13])[F:14]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-072682aa82e749b182d091e65a5fb200
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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