Ammonium → 1-(1-Amino-4-bromo-isoquinolin-6-yl)-6,6-dimethyl-3-trifluoromethyl-1,5,6,7-tetrahydro-indazol-4-one
Reaction equation
[CH3:14][C:15]1([CH3:29])[CH2:16][C:17](=[O:28])[c:18]2[c:19]([C:24]([F:25])([F:26])[F:27])[n:20][nH:21][c:22]2[CH2:23]1.[Cl-:32].[H-:31].[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:13])[c:6]2[cH:7][c:8]([F:12])[cH:9][cH:10][c:11]12.[NH4+:33].[Na+:30].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:13])[c:6]2[cH:7][c:8](-[n:21]3[n:20][c:19]([C:24]([F:25])([F:26])[F:27])[c:18]4[c:22]3[CH2:23][C:15]([CH3:14])([CH3:29])[CH2:16][C:17]4=[O:28])[cH:9][cH:10][c:11]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-7375257b94374b3a84438f269cee1300
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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