Propionic Acid → 5-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-3-methyl-thiophene-2-sulfonic acid propionyl-amide
Reaction equation
[CH3:1][C:2]([C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:27])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([CH2:15][CH3:16])[c:17]2[cH:18][c:19]([CH3:26])[c:20]([S:22](=[O:23])(=[O:24])[NH2:25])[s:21]2)[cH:10][cH:11]1)=[O:28])([CH3:29])[CH3:30].[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[CH3:42][CH2:43][C:44]([OH:45])=[O:46].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[Cl:56][CH2:57][Cl:58]>>[CH3:1][C:2]([C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:27])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([CH2:15][CH3:16])[c:17]2[cH:18][c:19]([CH3:26])[c:20]([S:22](=[O:23])(=[O:24])[NH:25][C:44]([CH2:43][CH3:42])=[O:45])[s:21]2)[cH:10][cH:11]1)=[O:28])([CH3:29])[CH3:30]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-fd5c1f131514443fa6e53c023e16ec98
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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