HRID1558734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID70092

2-Butene, 1-bromo-3-methyl-

C5H9Br

HCID166653

Hydride

H-

结构：COc1cc(NC(C)=O)ccc1OCCCN1CCN(c2ccccc2)CC1

HCID12838122

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N(CC=C(C)C)C(C)=O)ccc1OCCCN1CCN(c2ccccc2)CC1

HCID20481757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57d6cee0fbf6448785883b70eb341cc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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