HRID2151790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：O=C(C=Cc1cccc(Br)c1)Nc1ccc(CN2CCCCC2)cc1

HCID53907766

未命名化合物

HCID86756158

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1cccc(-c2ccc(F)cc2)c1)Nc1ccc(CN2CCCCC2)cc1

HCID53967771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87cec21cf7fb4c43ab0f055c6bce7fed
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

[B:26]([O-:27])([O-:35])[O:36][c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1.[Br:1][c:2]1[cH:3][c:4]([CH:5]=[CH:6][C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:21][cH:22]2)[cH:23][cH:24][cH:25]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][CH2:44][OH:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[K+:41].[K+:42]>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:3][c:4]([CH:5]=[CH:6][C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:21][cH:22]2)[cH:23][cH:24][cH:25]1