Bicarbonate Ion → 7-Bromo-4,4-dimethylthiochroman
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([S:8][CH2:9][CH:10]=[C:11]([CH3:12])[CH3:13])[cH:5][cH:6][cH:7]1.[C:26](=[O:27])([OH:28])[O-:29].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Na+:30].[OH2:14].[OH2:38].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[C:11]([CH3:12])([CH3:13])[CH2:10][CH2:9][S:8]2Participants
7
Sources & evidence
- ORD record
- ord-e4c47a321c2d40f6a4c29aa93e769780
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…