HRID97201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31265

Ethyl hexanoate

C8H16O2

HCID166653

Hydride

H-

结构：N#Cc1ccc(CC23CCCC=C2N(c2cc(Cl)cc(Cl)c2)C(=O)N3)cc1

HCID10453451

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCCC12CCCCC1(Cc1ccc(C#N)cc1)NC(=O)N2c1cc(Cl)cc(Cl)c1

HCID69786219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f58aac02f184a4e85311ce4c79d6cbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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