Acetate → 1-[(4-Aminoquinolin-7-yl)methyl]-4-[3-(4-bromothiophen-2-yl)prop-2-enoyl]-3-methylpiperazin-2-one
Reaction equation
[CH3:39][C:40](=[O:41])[O-:42].[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:30])[CH:15]([CH3:29])[N:16]([C:19]([CH:20]=[CH:21][c:22]4[s:23][cH:24][c:25]([Br:27])[cH:26]4)=[O:28])[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][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:30])[CH:15]([CH3:29])[N:16]([C:19]([CH:20]=[CH:21][c:22]4[s:23][cH:24][c:25]([Br:27])[cH:26]4)=[O:28])[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-95bc8ad17aa2493c8a97459ca697192d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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