HRID140959

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

HCID2760343

4-Phenoxybenzylamine

C13H13NO

HCID59512234

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

C9H7Br2ClO2

PRODUCTS

生成物

结构：O=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(Oc2ccccc2)cc1

HCID57949670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a16dd342a57400a8c053c524e4806db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[K+:30].[K+:31].[O-:32][C:33]([O-:34])=[O:35].[O:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][c:25]([CH2:26][NH2:27])[cH:28][cH:29]1>>[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:27]1[CH2:26][c:25]1[cH:24][cH:23][c:22]([O:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:29][cH:28]1