HRID2322171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID77703

p-Toluenesulphonyl isocyanate

C8H7NO3S

HCID21876365

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCN(C)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21875765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50c6cb98d5a64d4fb4d885faf08c669e
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

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