Acetic Acid → 1-(3-Amino-6-(4-(ethylsulfonyl)piperazin-1-yl)pyrazin-2-yl)-2-bromoethanone
Reaction equation
[Br-:22].[Br-:23].[Br-:24].[BrH:47].[C:43]([OH:44])(=[O:45])[CH3:46].[NH2:1][c:2]1[c:3]([C:19]([CH3:20])=[O:21])[n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][n:7]1.[nH+:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[nH+:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[nH+:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[NH2:1][c:2]1[c:3]([C:19]([CH2:20][Br:22])=[O:21])[n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][n:7]1Participants
6
Sources & evidence
- ORD record
- ord-61fc0ed5488c4b8199238422fd4a8bb3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…