Ethacrynic Acid → N-[3-[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetylthio-2-methylpropanoyl]-N-cyclopentyl glycine t-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13]1)[C:14]([CH:15]([CH2:16][SH:17])[CH3:18])=[O:19])=[O:20].[CH2:40]([Cl:41])[Cl:42].[CH3:21][CH2:22][C:23](=[CH2:24])[C:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]([O:31][CH2:32][C:33]([OH:34])=[O:35])[c:36]([Cl:37])[c:38]1[Cl:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13]1)[C:14]([CH:15]([CH2:16][S:17][C:33]([CH2:32][O:31][c:30]1[cH:29][cH:28][c:27]([C:25]([C:23]([CH2:22][CH3:21])=[CH2:24])=[O:26])[c:38]([Cl:39])[c:36]1[Cl:37])=[O:34])[CH3:18])=[O:19])=[O:20]Participants
4
Sources & evidence
- ORD record
- ord-04e0cb220bd34c50a1c72469cbf4edad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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