HRID2347165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID26255

Tetrafluoroborate

BF4-

HCID80662

2-(2-Methoxyphenyl)ethanimidic acid

C9H11NO2

HCID165095

未命名化合物

结构：O=C1CCC(c2cccc(F)c2)(c2cccc(F)c2)C2CNCC12

HCID44209816

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CC(=N)N1CC2C(=O)CCC(c3cccc(F)c3)(c3cccc(F)c3)C2C1

HCID67915925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55fce192b1484b0aab3e2482719215b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[B-:13]([F:14])([F:15])([F:16])[F:17].[C:50](=[O:51])([O-:52])[O-:53].[CH2:18]([O+:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[CH3:24].[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[O:11])[NH2:12])[cH:5][cH:6][cH:7][cH:8]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:56][CH2:57][Cl:58].[ClH:25].[F:26][c:27]1[cH:28][c:29]([C:33]2([c:43]3[cH:44][c:45]([F:49])[cH:46][cH:47][cH:48]3)[CH2:34][CH2:35][C:36](=[O:42])[CH:37]3[CH2:38][NH:39][CH2:40][CH:41]23)[cH:30][cH:31][cH:32]1.[K+:54].[K+:55]>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][C:10](=[NH:12])[N:39]2[CH2:38][CH:37]3[C:36](=[O:42])[CH2:35][CH2:34][C:33]([c:29]4[cH:28][c:27]([F:26])[cH:32][cH:31][cH:30]4)([c:43]4[cH:44][c:45]([F:49])[cH:46][cH:47][cH:48]4)[CH:41]3[CH2:40]2)[cH:5][cH:6][cH:7][cH:8]1