HRID1227223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

结构：CC(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID59447342

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

HCID59447405

Tert-butyl 4-(1-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}ethyl)piperidine-1-carboxylate

C20H28F3NO4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-502ce8b844194be6b4a83e5be5cabd60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:29][Si:30]([N-:31][Si:32]([CH3:33])([CH3:34])[CH3:35])([CH3:36])[CH3:37].[CH3:39][I:40].[Cl-:41].[F:1][C:2]([c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[CH:12]([CH3:13])[CH:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[cH:6][cH:7][cH:8]1)([F:27])[F:28].[NH4+:42].[Na+:38].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:43]>>[F:1][C:2]([c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[C:12]([CH3:13])([CH:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[CH3:29])[cH:6][cH:7][cH:8]1)([F:27])[F:28]