Dimethyl Sulfoxide → 1-(4-Methoxy-benzenesulfonyl)-3-(3-phenylpropionylamino)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH2:10][CH:11]=[CH:12][CH2:13][CH:14]1[NH:15][C:16]([CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)=[O:25].[C:37]([O:38][C:39]([C:40]1([C:41](=[O:42])[NH2:43])[CH:44]([CH2:45][CH2:46][c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][N:57]1[S:58]([c:59]1[cH:60][cH:61][c:62]([O:63][CH3:64])[cH:65][cH:66]1)(=[O:67])=[O:68])=[O:69])([CH3:70])([CH3:71])[CH3:72].[CH3:73][S:74]([CH3:75])=[O:76]>>[O:5]=[C:6]([OH:7])[CH:8]1[N:9]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH2:10][CH:11]=[CH:12][CH2:13][CH:14]1[NH:15][C:16]([CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)=[O:25]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-862277353db143fd989ffd9d503da1a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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