Carbon Dioxide → Clobuzarit

HRID 321714Notes

Reaction equation

HRID 321714 reaction equation
[BH4-:25].[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:14]3[O:15][C:16]([CH3:20])([CH3:21])[C:17](=[O:19])[O:18]3)[cH:12][cH:13]2)[cH:6][cH:7]1.[Na+:26].[Na+:28].[O:22]=[C:23]=[O:24].[OH-:27].[OH2:32]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][O:15][C:16]([C:17](=[O:18])[OH:19])([CH3:20])[CH3:21])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 280Carbon DioxideHCID 702EthanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 28123BorohydrideHCID 127737612-[4-(4-Chlorophenyl)phenyl]-5,5-dimethyl-1,3-dioxolan-4-one

Product 1

HCID 71697Clobuzarit

Sources & evidence

ORD record
ord-644ca90e4feb4ba9ba4a7f013fe2eb38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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