HRID288110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6571

1-Chloropropan-2-one

C3H5ClO

HCID19660

Carbonate

CO3-2

结构：COc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCC1CCNCC1

HCID22030794

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCC1CCN(CC(C)=O)CC1

HCID11294451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1446af556abf4e1897fc6276a35848ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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