2,2,2-Trifluoroethanol → 4-(7-(2,6-dimethyl-4-(pyridin-4-yl)phenoxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamino)benzonitrile
Reaction equation
[CH3:8][c:9]1[c:10]([O:11][c:12]2[c:13]3[c:14]([n:15][c:16]([Cl:18])[n:17]2)[n:19][n:20][nH:21]3)[c:22]([CH3:32])[cH:23][c:24](-[c:26]2[cH:27][cH:28][n:29][cH:30][cH:31]2)[cH:25]1.[NH2:33][c:34]1[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41]1.[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[OH:42][CH2:43][C:44]([F:45])([F:46])[F:47]>>[CH3:8][c:9]1[c:10]([O:11][c:12]2[c:13]3[c:14]([n:15][c:16]([NH:33][c:34]4[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41]4)[n:17]2)[n:19][n:20][nH:21]3)[c:22]([CH3:32])[cH:23][c:24](-[c:26]2[cH:27][cH:28][n:29][cH:30][cH:31]2)[cH:25]1Participants
5
Sources & evidence
- ORD record
- ord-b83141ee41c342a48cca073acea0310b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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