Bicarbonate Ion → 2-{4-[Chloro(cyclohexyl)methyl]-5-ethylthiophen-2-yl}-1,3-dioxolane
Reaction equation
[C:31](=[O:32])([O-:33])[OH:34].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH:1]1([CH:7]([OH:8])[c:9]2[c:10]([CH2:19][CH3:20])[s:11][c:12]([CH:14]3[O:15][CH2:16][CH2:17][O:18]3)[cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:35].[S:27]([Cl:28])([Cl:29])=[O:30].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1>>[CH:1]1([CH:7]([c:9]2[c:10]([CH2:19][CH3:20])[s:11][c:12]([CH:14]3[O:15][CH2:16][CH2:17][O:18]3)[cH:13]2)[Cl:29])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
7
Sources & evidence
- ORD record
- ord-47ff4e227a5b485b8e8233f78cc33b3a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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