1,2-Dichloroethane → 1-[[4-Thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methylamino]cyclobutane-1-carbonitrile

HRID 2348425Notes

Reaction equation

HRID 2348425 reaction equation
[C:30]1(=[O:34])[CH2:31][CH2:32][CH2:33]1.[CH3:35][Si:36]([C:37]#[N:38])([CH3:39])[CH3:40].[Cl:41][CH2:42][CH2:43][Cl:44].[NH2:1][CH2:2][CH:3]1[N:4]([c:17]2[cH:18][cH:19][c:20]([C:23]([C:24]([F:25])([F:26])[F:27])([CH3:28])[OH:29])[cH:21][cH:22]2)[CH2:5][CH2:6][N:7]([S:9](=[O:10])(=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH2:8]1>>[NH:1]([CH2:2][CH:3]1[N:4]([c:17]2[cH:18][cH:19][c:20]([C:23]([C:24]([F:25])([F:26])[F:27])([CH3:28])[OH:29])[cH:21][cH:22]2)[CH2:5][CH2:6][N:7]([S:9](=[O:10])(=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH2:8]1)[C:30]1([C:37]#[N:38])[CH2:31][CH2:32][CH2:33]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 14496CyclobutanoneHCID 82115Trimethylsilyl cyanideHCID 771483862-[4-[2-(Aminomethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol

Product 1

HCID 771483621-[[4-Thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methylamino]cyclobutane-1-carbonitrile

Sources & evidence

ORD record
ord-4d9186bf583846f7a1ce9bf40408eda3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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