Dimethyl Sulfoxide → 4-Methyl-2-{6-chloro-2-[4-(3-trifluoromethoxyphenyl)-imidazol-1-yl]-pyrimidin-4-ylamino}-pentanoic acid (3-ethoxypropyl)amide
Reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[NH:14][c:15]1[n:16][c:17]([Cl:22])[n:18][c:19]([Cl:21])[cH:20]1)=[O:23].[CH3:48][S:49]([CH3:50])=[O:51].[F-:46].[F:24][C:25]([O:26][c:27]1[cH:28][c:29](-[c:33]2[n:34][cH:35][nH:36][cH:37]2)[cH:30][cH:31][cH:32]1)([F:38])[F:39].[K+:40].[K+:41].[K+:47].[O-:42][C:43]([O-:44])=[O:45].[OH2:52]>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[NH:14][c:15]1[n:16][c:17](-[n:36]2[cH:35][n:34][c:33](-[c:29]3[cH:28][c:27]([O:26][C:25]([F:24])([F:38])[F:39])[cH:32][cH:31][cH:30]3)[cH:37]2)[n:18][c:19]([Cl:21])[cH:20]1)=[O:23]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-002a3e4341824c90a2e0d6d48a978ab5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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