HRID695070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID11400

Ethyl 3-aminobenzoate

C9H11NO2

HCID2908181

未命名化合物

PRODUCTS

生成物

结构：CCCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)OCC)c1

HCID19032822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4718463e818d4f5abcaa2d8ee1f72d0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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