HRID139856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID170380

Benzonitrile, 4-isocyanato-

C8H4N2O

结构：CC(C)(C)CC1CNC(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID67095372

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1CN(C(=O)Nc2ccc(C#N)cc2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID75630686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b31b07481f34c08909a7ce5b822e438
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

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