HRID2349001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81669

1-(2-Chloroethyl)pyrrolidine

C6H12ClN

HCID166653

Hydride

H-

结构：Cc1ccc(C(=O)NC(c2nc(C)c(C)c(=O)n2Cc2ccccc2)C(C)C)cc1

HCID21076937

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N(CCN2CCCC2)C(c2nc(C)c(C)c(=O)n2Cc2ccccc2)C(C)C)cc1

HCID21076821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72771b8643254bc3bd7f9e2c91307a0a
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:17]([CH:18]([CH3:19])[CH3:20])[NH:21][C:22]([c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)=[O:30])[n:10][c:11]([CH3:16])[c:12]([CH3:15])[c:13]1=[O:14].[Cl:33][CH2:34][CH2:35][N:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[H-:31].[Na+:32].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:17]([CH:18]([CH3:19])[CH3:20])[N:21]([C:22]([c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)=[O:30])[CH2:34][CH2:35][N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)[n:10][c:11]([CH3:16])[c:12]([CH3:15])[c:13]1=[O:14]