Sodium ion → 1-Chloro-3-(4'-fluoro-4-biphenylyl)-butan-3-ol

HRID 204261Notes

Reaction equation

HRID 204261 reaction equation
[B:44]([OH:45])([OH:46])[OH:47].[Cl:19][CH2:20][CH2:21][C:22]([c:23]1[cH:24][cH:25][c:26](-[c:27]2[cH:28][cH:29][c:30]([N+:31]([O-:32])=[O:33])[cH:34][cH:35]2)[cH:36][cH:37]1)([OH:38])[CH3:39].[Cl:1][CH2:2][CH2:3][C:4]([CH3:5])([OH:6])[c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:11][cH:12]1.[FH:48].[N:40]([O-:41])=[O:42].[Na+:43].[OH2:49]>>[Cl:1][CH2:2][CH2:3][C:4]([CH3:5])([OH:6])[c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][cH:15][c:16]([F:48])[cH:17][cH:18]2)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 7628Boric AcidHCID 14917Hydrofluoric AcidHCID 213964574-Chloro-2-(4-phenylphenyl)butan-2-olHCID 213964881-Chloro-3-(4'-nitro-4-biphenylyl)-butan-3-ol

Product 1

HCID 203028961-Chloro-3-(4'-fluoro-4-biphenylyl)-butan-3-ol

Sources & evidence

ORD record
ord-1ad9737dcc2844a2834bfb564a69c730
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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