Acetic Acid → 1-[4-[4-[3-[1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
Reaction equation
[B-:40]([F:41])([F:42])([F:43])[F:44].[CH3:36][C:37]([OH:38])=[O:39].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[Cl:1][c:2]1[c:3]([CH:13]([CH3:14])[c:15]2[cH:16][nH:17][c:18]3[n:19][cH:20][c:21](-[c:24]4[cH:25][n:26][n:27]([CH:30]5[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]5)[c:28]4[CH3:29])[cH:22][c:23]23)[c:4]([O:9][CH:10]([F:11])[F:12])[cH:5][cH:6][c:7]1[F:8].[Cl:69][CH2:70][Cl:71].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[c:3]([CH:13]([CH3:14])[c:15]2[cH:16][nH:17][c:18]3[n:19][cH:20][c:21](-[c:24]4[cH:25][n:26][n:27]([CH:30]5[CH2:31][CH2:32][N:33]([C:37]([CH3:36])=[O:38])[CH2:34][CH2:35]5)[c:28]4[CH3:29])[cH:22][c:23]23)[c:4]([O:9][CH:10]([F:11])[F:12])[cH:5][cH:6][c:7]1[F:8]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f35d4cddf9774505aa984e24031b1bdc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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