Acetonitrile → 3,3-difluoro-N-(4-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)bicyclo[2.2.2]octan-1-yl)azetidine-1-sulfonamide
Reaction equation
[CH3:55][C:56]#[N:57].[F:32][C:33]([F:34])([F:35])[S:36]([O-:37])(=[O:38])=[O:39].[F:40][C:41]1([F:54])[CH2:42][N:43]([S:45](=[O:46])(=[O:47])[n:48]2[cH:49][cH:50][n+:51]([CH3:52])[cH:53]2)[CH2:44]1.[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[n:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][c:18]1[n:19]2[c:20]([C:23]23[CH2:24][CH2:25][C:26]([NH2:31])([CH2:27][CH2:28]2)[CH2:29][CH2:30]3)[n:21][n:22]1>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[n:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][c:18]1[n:19]2[c:20]([C:23]23[CH2:24][CH2:25][C:26]([NH:31][S:45]([N:43]4[CH2:42][C:41]([F:40])([F:54])[CH2:44]4)(=[O:46])=[O:47])([CH2:27][CH2:28]2)[CH2:29][CH2:30]3)[n:21][n:22]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-c28a90231df14a06b80c46b2ebc0e382
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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