1,2-Dichloroethane → 1,1,1-Trifluoro-2-(4-(2-(4-morpholinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

HRID 2346995Notes

Reaction equation

HRID 2346995 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH3:50][C:51](=[O:52])[OH:53].[Cl:54][CH2:55][CH2:56][Cl:57].[Na+:49].[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[N:9]2[CH2:10][CH:11]([CH:28]=[O:29])[N:12]([c:15]3[cH:16][cH:17][c:18]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[N:9]2[CH2:10][CH:11]([CH2:28][N:35]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[N:12]([c:15]3[cH:16][cH:17][c:18]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 866703254-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinecarbaldehyde

Product 1

HCID 569322681,1,1-Trifluoro-2-(4-(2-(4-morpholinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

Sources & evidence

ORD record
ord-6be7228c8f2a47e99d59a5a546d2c858
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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