HRID2133572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID643498

2-Fluorobenzyl isocyanate

C8H6FNO

结构：CC(C)N(C(=O)C(c1cccnc1)C(CN)c1ccccc1)C(C)C

HCID57429230

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)C(c1cccnc1)C(CNC(=O)NCc1ccccc1F)c1ccccc1)C(C)C

HCID16049867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93a2e01efde9485294ba7e7bf3c87d8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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