HRID811130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID160602

Phenylethyl isocyanate

C9H9NO

结构：CC(C)CC(C(N)=O)N(CC1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1

HCID178444918

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(N)=O)N(CC1CCN(C(=O)NCCc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1

HCID178444921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e83318b835c14a7b865baea30ad98eb2
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

[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[CH:19]([C:20](=[O:21])[NH2:22])[CH2:23][CH:24]([CH3:25])[CH3:26])[cH:6][cH:7]1.[Cl:50][CH2:51][Cl:52].[N:34](=[C:35]=[O:36])[CH2:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Na+:49].[O-:45][C:46]([OH:47])=[O:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH:13]2[CH2:14][CH2:15][N:16]([C:35]([NH:34][CH2:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)=[O:36])[CH2:17][CH2:18]2)[CH:19]([C:20](=[O:21])[NH2:22])[CH2:23][CH:24]([CH3:25])[CH3:26])[cH:6][cH:7]1