HRID2323835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID77703

p-Toluenesulphonyl isocyanate

C8H7NO3S

HCID22244665

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3nc(C)c(-c4ccccc4)c3C)cc2)cc1

HCID10239013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b7a5878722945328012a2fefdf978b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH2:22])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[Cl:36][CH2:37][Cl:38].[c:23]1([CH3:35])[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[N:32]=[C:33]=[O:34])[cH:27][cH:28]1>>[CH3:1][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:33]([NH:32][S:29]([c:26]3[cH:25][cH:24][c:23]([CH3:35])[cH:28][cH:27]3)(=[O:30])=[O:31])=[O:34])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1