Dichloromethane → 3-((4-(4-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)-1-piperazinyl)sulfonyl)phenol

HRID 201186Notes

Reaction equation

HRID 201186 reaction equation
[B:34]([Br:35])([Br:36])[Br:37].[Cl:38][CH2:39][Cl:40].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][N:18]([S:21](=[O:22])(=[O:23])[c:24]3[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][cH:29]3)[CH2:19][CH2:20]2)[cH:13][cH:14]1)([F:32])[F:33]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][N:18]([S:21](=[O:22])(=[O:23])[c:24]3[cH:25][c:26]([OH:30])[cH:27][cH:28][cH:29]3)[CH2:19][CH2:20]2)[cH:13][cH:14]1)([F:32])[F:33]

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 25134Boron tribromideHCID 866703641,1,1,3,3,3-Hexafluoro-2-(4-(4-((3-methoxyphenyl)sulfonyl)-1-piperazinyl)phenyl)-2-propanol

Product 1

HCID 569324713-((4-(4-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)-1-piperazinyl)sulfonyl)phenol

Sources & evidence

ORD record
ord-9318466e0b8b4a0b898dc55df4e1fff9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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