HRID150247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID21796422

7-Methoxy-3-methylquinoxalin-2(1H)-one

C10H10N2O2

结构：CC(C)(C)OC(=O)NC1CCN(CCOS(C)(=O)=O)CC1

HCID56834478

未命名化合物

结构：COc1ccc2ccc(=O)n(CCN3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

HCID59371209

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nc(C)c(=O)n(CCN3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

HCID86642647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5a9e08ee637498c90872beee8f96f1d
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

[CH3:17][S:18]([O:19][CH2:22][CH2:23][N:24]1[CH2:25][CH2:26][CH:27]([NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:28][CH2:29]1)(=[O:20])=[O:21].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][c:8]([CH3:14])[c:9](=[O:13])[nH:10][c:11]2[cH:12]1.[CH3:38][O:39][c:40]1[cH:41][c:42]2[c:43]([cH:44][cH:45][c:46](=[O:47])[n:48]2[CH2:49][CH2:50][N:51]2[CH2:52][CH2:53][CH:54]([NH:55][C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[CH2:63][CH2:64]2)[cH:65][cH:66]1.[CH3:67][C:68](=[O:69])[CH3:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[H-:15].[Na+:16]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][c:8]([CH3:14])[c:9](=[O:13])[n:10]([CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:28][CH2:29]3)[c:11]2[cH:12]1