Methanol → 3-{[(trans-4-{[(5-Nitro-2-{[2-(trifluoromethoxy)benzyl]amino}pyrimidin-4-yl)amino]methyl}cyclohexyl)amino]methyl}benzoic acid
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][NH:11][CH:12]2[CH2:13][CH2:14][CH:15]([CH2:18][NH:19][c:20]3[n:21][c:22]([NH:29][CH2:30][c:31]4[c:32]([O:37][C:38]([F:39])([F:40])[F:41])[cH:33][cH:34][cH:35][cH:36]4)[n:23][cH:24][c:25]3[N+:26](=[O:27])[O-:28])[CH2:16][CH2:17]2)[cH:7][cH:8][cH:9]1)=[O:42].[CH3:46][OH:47].[Li+:44].[OH-:43].[OH2:45]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([CH2:10][NH:11][CH:12]2[CH2:13][CH2:14][CH:15]([CH2:18][NH:19][c:20]3[n:21][c:22]([NH:29][CH2:30][c:31]4[c:32]([O:37][C:38]([F:39])([F:40])[F:41])[cH:33][cH:34][cH:35][cH:36]4)[n:23][cH:24][c:25]3[N+:26](=[O:27])[O-:28])[CH2:16][CH2:17]2)[cH:7][cH:8][cH:9]1)[OH:42]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f799caa1300d4a1e96af1d2684c572ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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