Sodium ion → trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-N-methyl-2-trifluoromethoxy-benzenesulfonamide
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:34][C:35]([F:36])([F:37])[F:38])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]([CH2:19][NH:20][c:21]3[n:22][c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]4[c:29]([N:31]([CH3:32])[CH3:33])[n:30]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1.[H-:39].[I:41][CH3:42].[Na+:40].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[Br:1][c:2]1[cH:3][c:4]([O:34][C:35]([F:36])([F:37])[F:38])[c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]([CH2:19][NH:20][c:21]3[n:22][c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]4[c:29]([N:31]([CH3:32])[CH3:33])[n:30]3)[CH2:17][CH2:18]2)[CH3:42])[cH:6][cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-c9a3887d69b64fc5950985ba69bf071b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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