HRID2128753

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-

HCID962

Water

H2O

HCID6579

Acrylamide

C3H5NO

HCID8058

n-Hexane

C6H14

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

HCID12094663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1344fbce19a042b69af9f72cabbdb521
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].[CH3:34][C:35](=[O:36])[CH3:37].[CH3:38][OH:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[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.[NH2:29][C:30](=[O:31])[CH:32]=[CH2:33].[Na+:28].[OH2:46]>>[c:2]1([CH2:33][CH:32]([Br:24])[C:30]([NH2:29])=[O:31])[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