Sodium ion → Tert-butyl 4-{2-[(3,5-bis-trifluoromethyl-benzyl)-(2-bromo-5-methoxy-4-trifluoromethyl-benzyl)-amino]-pyrimidin-5-yloxy}-butyrate
Reaction equation
[Br:36][c:37]1[c:38]([CH2:49][Br:50])[cH:39][c:40]([O:47][CH3:48])[c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1.[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][NH:7][c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:12][n:13]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[H-:34].[Na+:35].[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]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:12][n:13]2)[CH2:49][c:38]2[c:37]([Br:36])[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[c:40]([O:47][CH3:48])[cH:39]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-597c232eddf04e18ad8391d528f9f1b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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