HRID177205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID12761564

未命名化合物

HCID13178866

Benzyl octahydro-1H-indole-2-carboxylate

C16H21NO2

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OC(C)C(=O)N2C(C(=O)OCc3ccccc3)CC3CCCCC32)cc1

HCID178427742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06a6a5c886824feca6528b86f1672d18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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