HRID1575752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID522170

4-Amino-2-(trifluoromethyl)benzonitrile

C8H5F3N2

HCID10250067

2-ethoxy-6-pentadecyl-benzoyl Chloride

C24H39ClO2

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCc1cccc(OCC)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

HCID10053131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f08e7cbd0a7480e95a941f5a8ec9704
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

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