HRID189367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID257716

4-Bromomethylbiphenyl

C13H11Br

HCID676694

Methyl 1H-indole-7-carboxylate

C10H9NO2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc2ccn(Cc3ccc(-c4ccccc4)cc3)c12

HCID58306447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e77fb65f7f044d49bf32ecabf0d95223
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

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