HRID143897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14728752

未命名化合物

结构：O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(OCc2ccccc2)c1

HCID22503984

2-(Benzyloxy)-4-nitrobenzene-1-sulfonyl chloride

C13H10ClNO5S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OCc1ccccc1)C(N)=O

HCID178451124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e6b1ac987ec4872b1f5cd47540dfbde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([CH2:31][CH:32]([C:33](=[O:34])[NH2:35])[NH2:36])=[O:37].[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][c:12]1[c:13]([S:21](=[O:22])(=[O:23])[Cl:24])[cH:14][cH:15][c:16]([N+:18](=[O:19])[O-:20])[cH:17]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:1][CH2:2][Cl:3].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][c:12]1[c:13]([S:21](=[O:22])(=[O:23])[NH:36][CH:32]([CH2:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:37])[C:33](=[O:34])[NH2:35])[cH:14][cH:15][c:16]([N+:18](=[O:19])[O-:20])[cH:17]1