HRID187768

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-

HCID593258

2,4-Difluorophenyl isocyanate

C7H3F2NO

结构：COc1cc2nccc(Oc3ccc4[nH]ccc4c3)c2cc1OC

HCID22132645

4-[(1H-Indol-5-yl)oxy]-6,7-dimethoxyquinoline

C19H16N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc4c(ccn4C(=O)Nc4ccc(F)cc4F)c3)c2cc1OC

HCID58930940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a7a926725f2476f810134ef38309bb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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