Ethanol → 3-(4-[2-(6,11-Dihydrodibenzo[b,e]thiepin-11-yloxy)-ethoxy]-phenyl)-2-ethoxy-propionic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][O:16][CH:17]2[c:18]3[c:19]([cH:28][cH:29][cH:30][cH:31]3)[S:20][CH2:21][c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[cH:11][cH:12]1)[O:32][CH2:33][CH3:34])=[O:35].[CH3:38][CH2:39][OH:40].[Na+:37].[OH-:36]>>[O:3]=[C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][O:16][CH:17]2[c:18]3[c:19]([cH:28][cH:29][cH:30][cH:31]3)[S:20][CH2:21][c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[cH:11][cH:12]1)[O:32][CH2:33][CH3:34])[OH:35]Participants
5
Sources & evidence
- ORD record
- ord-6fbf0dd97e8049ab8ac5805b0d706346
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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