Thioglycolic Acid → Methyl 3-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(1-phenylpropylamino)propanoate
Reaction equation
[CH2:60]1[CH2:61][CH2:62][C:63]2=[N:68][CH2:67][CH2:66][CH2:65][N:64]2[CH2:69][CH2:70]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:30][cH:31]1)[O:10][CH:11]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]1)[CH2:12][O:13]2)[N:32]([CH:33]([CH2:34][CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[S:42]([c:43]1[cH:44][cH:45][c:46]([N+:47]([O-:48])=[O:49])[cH:50][cH:51]1)(=[O:52])=[O:53])=[O:54].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[SH:55][CH2:56][C:57]([OH:58])=[O:59]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:30][cH:31]1)[O:10][CH:11]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]1)[CH2:12][O:13]2)[NH:32][CH:33]([CH2:34][CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:54]Participants
5
Sources & evidence
- ORD record
- ord-7bcf4af9f8464f3a88e4e53df88c969f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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