Acetate → 1-(4-Aminocinnolin-7-ylmethyl)-4-[2-(5-chlorothiophen-2-yl)-ethenesulfonyl]-piperazin-2-one
Reaction equation
[CH3:39][C:40](=[O:41])[O-:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][n:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:30])[CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH:22]=[CH:23][c:24]4[s:25][c:26]([Cl:29])[cH:27][cH:28]4)[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12.[NH4+:38].[OH:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:2]1([NH2:38])[cH:3][n:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:30])[CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH:22]=[CH:23][c:24]4[s:25][c:26]([Cl:29])[cH:27][cH:28]4)[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12Participants
6
Sources & evidence
- ORD record
- ord-2d15ab9e60f04eb6bcd2561bd6905d71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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