HRID2137856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID260

Hydrogen Bromide

BrH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID7294

Methyl acrylate

C4H6O2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(N)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

HCID10903424

5-amino-2-methoxy-N-(4-trifluoromethylbenzyl)benzamide

C16H15F3N2O2

PRODUCTS

生成物

结构：COC(=O)C(Br)Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1

HCID12094665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7623e64d94784392b9f5ce93745bd52e
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

[BrH:24].[C:29]([CH:30]=[CH2:31])(=[O:32])[O:33][CH3:34].[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:35][C:36](=[O:37])[CH3:38].[CH3:39][OH:40].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[N:25]([O-:26])=[O:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:22][CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:21]1.[Na+:28]>>[c:2]1([CH2:31][CH:30]([Br:24])[C:29](=[O:32])[O:33][CH3:34])[cH:3][cH:4][c:5]([O:22][CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:21]1