Citric Acid → N-(5-bromo-pyrazin-2-yl)-2-(3-chloro-4-methanesulfonyl-phenyl)-3-(4-oxo-cyclohexyl)-propionamide
Reaction equation
[CH2:44]([Cl:45])[Cl:46].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][C:20](=[O:23])[CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:24][C:25]([C:26]([Cl:27])=[O:28])=[O:29].[NH2:30][c:31]1[n:32][cH:33][c:34]([Br:37])[n:35][cH:36]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH:52][C:53]([CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH2:59][C:60](=[O:61])[OH:62])[OH:63])=[O:64].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:30][c:31]2[n:32][cH:33][c:34]([Br:37])[n:35][cH:36]2)[CH2:16][CH:17]2[CH2:18][CH2:19][C:20](=[O:23])[CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c119dca904524d98acd299e9ee76b06f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…