HRID1545499

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

HCID76804

4-(Trifluoromethyl)benzylamine

C8H8F3N

HCID67251868

未命名化合物

PRODUCTS

生成物

结构：O=C1c2c(cc(F)cc2C(F)(F)F)CN1Cc1ccc(C(F)(F)F)cc1

HCID57949479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a205094243a44012837f37138678ecd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:15][Br:16])[cH:6][c:7]([F:14])[cH:8][c:9]1[C:10]([F:11])([F:12])[F:13])=[O:17].[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].[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([CH2:24][NH2:25])[cH:26][cH:27]1)([F:28])[F:29].[K+:30].[K+:31].[O-:32][C:33]([O-:34])=[O:35]>>[C:3]1(=[O:17])[c:4]2[c:5]([cH:6][c:7]([F:14])[cH:8][c:9]2[C:10]([F:11])([F:12])[F:13])[CH2:15][N:25]1[CH2:24][c:23]1[cH:22][cH:21][c:20]([C:19]([F:18])([F:28])[F:29])[cH:27][cH:26]1