Hydrochloric Acid → 1,1,1-Trifluoro-2-[4-[2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

HRID 170304Notes

Reaction equation

HRID 170304 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][S:2]([O:3][CH2:6][CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)(=[O:4])=[O:5].[ClH:34].[K+:47].[K+:48].[O:35]1[CH2:36][CH:37]([CH2:41][OH:42])[NH:38][CH2:39][CH2:40]1>>[CH2:6]([CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)[N:38]1[CH:37]([CH2:41][OH:42])[CH2:36][O:35][CH2:40][CH2:39]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 5058360(Morpholin-3-yl)methanolHCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

Product 1

HCID 665824341,1,1-Trifluoro-2-[4-[2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

Sources & evidence

ORD record
ord-ac8652c61618439ea4ab577ed81fc0ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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