Dimethylformamide → 2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-chloro-4-(methylthio)quinoline
Reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[n:5][c:6]2[cH:7][c:8]([Cl:16])[cH:9][cH:10][c:11]2[c:12]([S:14][CH3:15])[cH:13]1.[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([C:28](=[O:29])[CH:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[NH2:40])[CH2:26][CH2:27]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:1](=[O:3])([c:4]1[n:5][c:6]2[cH:7][c:8]([Cl:16])[cH:9][cH:10][c:11]2[c:12]([S:14][CH3:15])[cH:13]1)[NH:40][CH:30]([C:28]([N:25]1[CH2:24][CH2:23][N:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[CH2:27][CH2:26]1)=[O:29])[CH2:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-1d58a9b35ffb4e3e91c5d3faf7a8a506
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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