Hydrochloric Acid → 5-((3,3-Dimethylbutanoyl)amino)-3-(4-isopropylphenyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
Reaction equation
[CH3:50][C:51]#[N:52].[CH:1](=[O:2])[c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1.[Cl+:39]([O-:40])[O-:41].[ClH:49].[Na+:31].[Na+:42].[Na+:48].[OH2:53].[OH:32][P:33](=[O:34])([O-:35])[OH:36].[OH:37][OH:38].[S:43]([O-:44])([OH:45])(=[O:46])=[O:47]>>[C:1](=[O:2])([c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1)[OH:32]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-0f18973487104350806c56918faf7e1a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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