Bicarbonate Ion → 4-{4-[chloro(cyclohexyl)methyl]-5-ethylthiophen-2-yl}tetrahydro-2H-pyran
Reaction equation
[C:26](=[O:27])([O-:28])[OH:29].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH:1]1([CH:7]([OH:8])[c:9]2[c:10]([CH2:20][CH3:21])[s:11][c:12]([CH:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:30].[S:22]([Cl:23])([Cl:24])=[O:25]>>[CH:1]1([CH:7]([c:9]2[c:10]([CH2:20][CH3:21])[s:11][c:12]([CH:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:13]2)[Cl:24])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-ee67b9ee201949b090a5129c89b81c85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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