HRID1230610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

结构：CCOC(=O)CCCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)cc1

HCID266879

Methyl 2-[(4-ethoxy-4-oxobutyl)(4-methylbenzene-1-sulfonyl)amino]benzoate

C21H25NO6S

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O

HCID12435934

Ethyl 1-(4-methylbenzene-1-sulfonyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylate

C20H21NO5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7353809ec2c6450c9376df3131e88852
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

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