Water → 2-[3-(difluoromethyl)-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-3,8-dihydroimidazo[4,5-d]dipyrido[2,3-b: 4',3'-f]azepine
Reaction equation
[CH3:35][N:36]([CH3:37])[C:38](=[O:39])[CH3:40].[F:1][CH:2]([c:3]1[n:4][n:5]([CH:28]2[O:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[c:6]([CH3:27])[c:7]1-[c:8]1[n:9]([OH:26])[c:10]2[c:11]([n:25]1)-[c:12]1[c:13]([n:21][cH:22][cH:23][cH:24]1)[NH:14][c:15]1[c:16]-2[cH:17][cH:18][n:19][cH:20]1)[F:34].[OH2:54].[P:41]([O:42][CH:43]([CH3:44])[CH3:45])([O:46][CH:47]([CH3:48])[CH3:49])[O:50][CH:51]([CH3:52])[CH3:53]>>[F:1][CH:2]([c:3]1[n:4][n:5]([CH:28]2[O:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[c:6]([CH3:27])[c:7]1-[c:8]1[nH:9][c:10]2[c:11]([n:25]1)-[c:12]1[c:13]([n:21][cH:22][cH:23][cH:24]1)[NH:14][c:15]1[c:16]-2[cH:17][cH:18][n:19][cH:20]1)[F:34]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-4df36b7b1b614a729f1a2dee5202bf6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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