HRID136645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5092

4-(3-Cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone

C16H21NO3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID10954844

Quinoline, 7-chloro-2-(chloromethyl)-

C10H7Cl2N

PRODUCTS

生成物

结构：COc1ccc(C2CC(=O)N(Cc3ccc4ccc(Cl)cc4n3)C2)cc1OC1CCCC1

HCID18971830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1d8fcea6e2b47a8a8651486a0e675d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH:1]1([O:6][c:7]2[cH:8][c:9]([CH:15]3[CH2:16][C:17](=[O:20])[NH:18][CH2:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:23][CH2:24][c:25]1[n:26][c:27]2[cH:28][c:29]([Cl:35])[cH:30][cH:31][c:32]2[cH:33][cH:34]1.[H-:22].[Na+:21].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:41]>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([CH:15]3[CH2:16][C:17](=[O:20])[N:18]([CH2:24][c:25]4[n:26][c:27]5[cH:28][c:29]([Cl:35])[cH:30][cH:31][c:32]5[cH:33][cH:34]4)[CH2:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1