Sodium ion → N4-[(trans-4-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}cyclohexyl)methyl]-5-nitro-N2-[2-(trifluoromethoxy)benzyl]pyrimidine-2,4-diamine
Reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[CH3:32][n:33]1[n:34][cH:35][c:36]([CH:39]=[O:40])[c:37]1[CH3:38].[Cl:41][CH2:42][Cl:43].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1.[Na+:48].[Na+:49]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1)[CH2:39][c:36]1[cH:35][n:34][n:33]([CH3:32])[c:37]1[CH3:38]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-5a5046f4450d46dd8e12f7283e7bfd13
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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