Acetic Acid → trans-N*2*-(4-{[(4-Bromo-2-trifluoromethoxy-benzyl)-methyl-amino]-methyl}-cyclohexylmethyl)-N*4*,N*4*-dimethyl-quinazoline-2,4-diamine
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:32][C:33]([F:34])([F:35])[F:36])[c:5]([CH2:6][NH:7][CH2:8][CH:9]2[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][c:17]3[n:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[c:25]([N:27]([CH3:28])[CH3:29])[n:26]3)[CH2:13][CH2:14]2)[cH:30][cH:31]1.[CH2:37]=[O:38].[CH3:39][C:40](=[O:41])[OH:42].[Cl:43][CH2:44][Cl:45]>>[Br:1][c:2]1[cH:3][c:4]([O:32][C:33]([F:34])([F:35])[F:36])[c:5]([CH2:6][N:7]([CH2:8][CH:9]2[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][c:17]3[n:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[c:25]([N:27]([CH3:28])[CH3:29])[n:26]3)[CH2:13][CH2:14]2)[CH3:39])[cH:30][cH:31]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-9a7cc75d21de4af7980236e9aae293d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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