HRID1544633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)OC2CCN(C(=O)OC(C)(C)C)C2)cc1

HCID13591085

tert-Butyl 3-[(4-methylbenzene-1-sulfonyl)oxy]pyrrolidine-1-carboxylate

C16H23NO5S

HCID66657269

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N(c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)C1

HCID66657235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57b1cf853675439b84d12a3b4d8657a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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