HRID2144760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID299643

1,8-Naphthyridin-2(1H)-one

C8H6N2O

结构：CCOC(=O)C1(CCCOS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1

HCID57815526

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(CCCn2c(=O)ccc3cccnc32)CCN(C(=O)OC(C)(C)C)CC1

HCID57815517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cb2813164a542b1ac966e8f8f07cb86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:14][S:15]([O:16][CH2:19][CH2:20][CH2:21][C:22]1([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1)(=[O:17])=[O:18].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[H-:12].[Na+:13].[OH2:40].[nH:1]1[c:2](=[O:11])[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]12>>[n:1]1([CH2:19][CH2:20][CH2:21][C:22]2([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]2)[c:2](=[O:11])[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]12