HRID681111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID84580

Ethyl 5-bromovalerate

C7H13BrO2

HCID166653

Hydride

H-

结构：CCOC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1-c1ccccc1

HCID4777862

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCn1c(C(=O)OCC)c(-c2ccccc2)c2cc(OCc3ccccc3)ccc21

HCID54250733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd837af3e7da4bf19a75af934eda8776
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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