Sodium ion → Benzyl (2-{[(3,5-bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-ethyl-carbamate
Reaction equation
[CH2:48]([CH3:49])[I:50].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([Br:14])[cH:12][n:13]2)[CH2:15][c:16]2[c:17]([NH:26][C:27]([O:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:36])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[H-:46].[Na+:47].[OH2:51]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([Br:14])[cH:12][n:13]2)[CH2:15][c:16]2[c:17]([N:26]([C:27]([O:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:36])[CH2:48][CH3:49])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-5bd2c317333a4254b6885a8e8207ddd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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