HRID209923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID14883544

未命名化合物

HCID59512234

Benzoic acid, 4-bromo-2-(bromomethyl)-6-chloro-, methyl ester

C9H7Br2ClO2

PRODUCTS

生成物

结构：CC(c1ccc(OC(F)(F)F)cc1)N1Cc2cc(Br)cc(Cl)c2C1=O

HCID57949414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cf68f75aaac4a4da35430b037ec3f75
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

[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:12][Br:13])[cH:6][c:7]([Br:11])[cH:8][c:9]1[Cl:10])=[O:14].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[F:15][C:16]([O:17][c:18]1[cH:19][cH:20][c:21]([CH:24]([CH3:25])[NH2:26])[cH:22][cH:23]1)([F:27])[F:28].[K+:29].[K+:30].[O-:31][C:32]([O-:33])=[O:34]>>[C:3]1(=[O:14])[c:4]2[c:5]([cH:6][c:7]([Br:11])[cH:8][c:9]2[Cl:10])[CH2:12][N:26]1[CH:24]([c:21]1[cH:20][cH:19][c:18]([O:17][C:16]([F:15])([F:27])[F:28])[cH:23][cH:22]1)[CH3:25]