Sodium ion → N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine
Reaction equation
[Br:35][CH:36]([CH3:37])[c:38]1[cH:39][c:40]([C:48]([F:49])([F:50])[F:51])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH:1]1([CH2:6][N:7]([c:8]2[c:9]([CH2:18][NH:19][c:20]3[n:21][cH:22][c:23]([O:26][CH2:27][CH2:28][S:29][CH3:30])[cH:24][n:25]3)[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[CH2:31][CH3:32])[CH2:2][CH2:3][CH2:4][CH2:5]1.[H-:33].[Na+:34].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:52]>>[CH:1]1([CH2:6][N:7]([c:8]2[c:9]([CH2:18][N:19]([c:20]3[n:21][cH:22][c:23]([O:26][CH2:27][CH2:28][S:29][CH3:30])[cH:24][n:25]3)[CH:36]([CH3:37])[c:38]3[cH:39][c:40]([C:48]([F:49])([F:50])[F:51])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]3)[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[CH2:31][CH3:32])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-b4a208b6f24b4bb3b870fee6ab0f298d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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