Chloride → ethyl(2RS,3RS)-3-hydroxy-3-(4-phenoxyphenyl)-2-((4-(trifluoromethyl)phenyl)methyl)propionate

HRID 1116532Notes

Reaction equation

HRID 1116532 reaction equation
[BH4-:1].[CH3:37][CH2:38][O:39][CH2:40][CH3:41].[Cl-:42].[Cl-:44].[ClH:35].[Na+:2].[O:3]=[C:4]([CH:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]1)[c:22]1[cH:23][cH:24][c:25]([O:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:26][cH:27]1.[OH2:36].[Zn+2:43]>>[OH:3][CH:4]([CH:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]1)[c:22]1[cH:23][cH:24][c:25]([O:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:26][cH:27]1

Participants

9

Reactant 8

HCID 312Chloride2×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 3283Diethyl EtherHCID 28123BorohydrideHCID 32051Zinc(2+)HCID 22261618HCID 22261618, compound

Product 1

HCID 22261557ethyl(2RS,3RS)-3-hydroxy-3-(4-phenoxyphenyl)-2-((4-(trifluoromethyl)phenyl)methyl)propionate

Sources & evidence

ORD record
ord-dcd0a963e62744ccb7e1a14de3414477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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