4-(Methylsulfonyl)benzaldehyde → 6-[4-[(4-Methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Reaction equation
[CH3:21][S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1.[N:1]1([c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]([F:18])([F:19])[F:20])[n:15][n:16]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]([F:18])([F:19])[F:20])[n:15][n:16]3)[CH2:2][CH2:3][N:4]([CH2:29][c:28]2[cH:27][cH:26][c:25]([S:22]([CH3:21])(=[O:23])=[O:24])[cH:32][cH:31]2)[CH2:5][CH2:6][CH2:7]1Participants
3
Sources & evidence
- ORD record
- ord-78f7d71802244d26b2e6b7c1017dd9f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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