Acetonitrile → 1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid 4-[8-(4-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl ester
Reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:21]2[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]2)[n:19]3)[cH:9][cH:10]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:52][C:53]#[N:54].[F:35][C:36]([C:37]([C:38]([C:39]([F:40])([F:41])[F:42])([F:43])[F:44])([F:45])[F:46])([S:47](=[O:48])(=[O:49])[F:50])[F:51]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:21]2[cH:22][cH:23][c:24]([O:27][S:47]([C:36]([F:35])([C:37]([C:38]([C:39]([F:40])([F:41])[F:42])([F:43])[F:44])([F:45])[F:46])[F:51])(=[O:48])=[O:49])[cH:25][cH:26]2)[n:19]3)[cH:9][cH:10]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-f9cefe34faf9495786ef04cf7e6f11b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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