Dichloromethane → 1-(Methylsulfonyl)-4-(5-{[5-(trifluoromethyl)pyridin-2-yl]ethynyl}pyridin-2-yl)piperazine
Reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][S:47]([Cl:48])(=[O:49])=[O:50].[Cl:51][CH2:52][Cl:53].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]#[C:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:21][CH2:22]3)[n:15][cH:16]2)[n:7][cH:8]1)([F:30])[F:31].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]#[C:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([S:47]([CH3:46])(=[O:49])=[O:50])[CH2:21][CH2:22]3)[n:15][cH:16]2)[n:7][cH:8]1)([F:30])[F:31]Participants
6
Sources & evidence
- ORD record
- ord-2f7a6675383e4049a5aa53443758a0ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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