HRID316791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID62832

3-Chloro-4-methylphenyl isocyanate

C8H6ClNO

HCID81531

Diisopropylethylamine

C8H19N

HCID21988569

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)NCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1Cl

HCID53246908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4d7f3faa7f0473e9916bf3005f90c0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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