HRID828552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62412

tert-Butyl isocyanate

C5H9NO

反应SMILES：CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)OCC)CCNCC2)cc1

HCID22626999

未命名化合物

PRODUCTS

产物

反应SMILES：CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)OCC)CCN(C(=O)NC(C)(C)C)CC2)cc1

HCID53881248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-70d8f244bcdd419aa63cd7b5e64b6807
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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