HRID196469

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

HCID10452403

未命名化合物

PRODUCTS

生成物

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

HCID10437038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e3287cc3b7047939bbb805b29bc0e28
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]1[c:4]([C:5](=[O:6])[Cl:7])[c:8]([CH2:12][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][CH3:26])[cH:9][cH:10][cH:11]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:47][CH2:48][Cl:49].[NH2:27][c:28]1[cH:29][c:30]([C:36]([F:37])([F:38])[F:39])[c:31]([C:32]#[N:33])[cH:34][cH:35]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[NH:27][c:28]2[cH:29][c:30]([C:36]([F:37])([F:38])[F:39])[c:31]([C:32]#[N:33])[cH:34][cH:35]2)[c:8]([CH2:12][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][CH3:26])[cH:9][cH:10][cH:11]1