Methanol → [4-(2-Fluoro-4-methanesulfonyl-phenyl)-piperazin-1-yl]-(2-hydroxy-5-methanesulfonyl-phenyl)-methanone

HRID 190392Notes

Reaction equation

HRID 190392 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([c:27]3[c:28]([F:37])[cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[CH2:25][CH2:26]2)[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]1.[CH3:42][OH:43].[CH:38]([Cl:39])([Cl:40])[Cl:41]>>[OH:8][c:9]1[c:10]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([c:27]3[c:28]([F:37])[cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[CH2:25][CH2:26]2)[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]1

Participants

4

Reactant 3

HCID 887MethanolHCID 6212ChloroformHCID 69037318(2-Benzyloxy-5-methanesulfonyl-phenyl)-[4-(2-fluoro-4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone

Product 1

HCID 69038724[4-(2-Fluoro-4-methanesulfonyl-phenyl)-piperazin-1-yl]-(2-hydroxy-5-methanesulfonyl-phenyl)-methanone

Sources & evidence

ORD record
ord-e202e6b6bb844cefb5a77cf830d37442
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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