Citric Acid → 2-(3-chloro-4-methanesulfonyl-phenyl)-3-(4-oxo-cyclohexyl)-N-pyrazin-2-yl-propionamide
Reaction equation
[CH2:43]([Cl:44])[Cl:45].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[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][cH:34][n:35][cH:36]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH:51][C:52]([CH2:53][C:54]([C:55](=[O:56])[OH:57])([CH2:58][C:59](=[O:60])[OH:61])[OH:62])=[O:63].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]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][cH:34][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-4409dfc574b3451e9b2e53722310824a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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