Benzene → 3-(3-Chlorophenyl)-2-[(2-cyclohexylethoxy)acetyl]-2-propenoic acid 3,3-diphenylpropyl ester
Reaction equation
[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[Cl:32][c:33]1[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39][cH:40]1.[c:1]1([CH:7]([CH2:8][CH2:9][O:10][C:11]([CH2:12][C:13]([CH2:14][O:15][CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)=[O:24])=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:47]1([CH3:48])[cH:49][cH:50][c:51]([S:52]([OH:53])(=[O:54])=[O:55])[cH:56][cH:57]1.[cH:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:1]1([CH:7]([CH2:8][CH2:9][O:10][C:11]([C:12]([C:13]([CH2:14][O:15][CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)=[O:24])=[CH:36][c:35]2[cH:34][c:33]([Cl:32])[cH:40][cH:39][cH:38]2)=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-2ef1925fd82a498aa573c692f82455fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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