Acetic Acid → 3-({(5-Bromo-pyrimidin-2-yl)-[2-(cyclopropylmethyl-propyl-amino)-5-trifluoromethyl-benzyl]-amino}-methyl)-5-trifluoromethyl-benzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:8][CH2:9][c:10]2[c:11]([N:20]([CH2:21][CH2:22][CH3:23])[CH2:24][CH:25]3[CH2:26][CH2:27]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[n:6][cH:7]1.[Br:30][CH2:31][c:32]1[cH:33][c:34]([C:35]#[N:36])[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[H-:28].[Na+:29]>>[Br:1][c:2]1[cH:3][n:4][c:5]([N:8]([CH2:9][c:10]2[c:11]([N:20]([CH2:21][CH2:22][CH3:23])[CH2:24][CH:25]3[CH2:26][CH2:27]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[CH2:31][c:32]2[cH:33][c:34]([C:35]#[N:36])[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]2)[n:6][cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-c0c3e26f78194e8f81f976025404a15d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…