HRID103786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2763487

2-Bromo-N-(2,6-dimethylphenyl)ethanimidic acid

C10H12BrNO

结构：Nc1ccc2c(cnn2CC(O)(Cn2cncn2)c2ccc(F)cc2F)c1

HCID68644438

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1NC(=O)CNc1ccc2c(cnn2CC(O)(Cn2cncn2)c2ccc(F)cc2F)c1

HCID68644908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ae2452715f4947a418ffe81fa0ccea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:34][CH2:35][C:36](=[O:37])[NH:38][c:39]1[c:40]([CH3:46])[cH:41][cH:42][cH:43][c:44]1[CH3:45].[C:28](=[O:29])([O-:30])[O-:31].[K+:32].[K+:33].[NH2:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:11][C:12]([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)([OH:19])[c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:8]2[cH:9][cH:10]1>>[NH:1]([c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:11][C:12]([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)([OH:19])[c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:8]2[cH:9][cH:10]1)[CH2:35][C:36](=[O:37])[NH:38][c:39]1[c:40]([CH3:46])[cH:41][cH:42][cH:43][c:44]1[CH3:45]