HRID176224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID59344938

未命名化合物

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)Nc2ccn(CC(C)(C)O)n2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID75630512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f641b2cd9aa4695a119c2bc86d9f2bf
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

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[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:29][C:30]([Cl:31])=[O:32].[Cl:51][CH2:52][Cl:53].[NH2:40][c:41]1[n:42][n:43]([CH2:46][C:47]([CH3:48])([OH:49])[CH3:50])[cH:44][cH:45]1>>[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[N:9]([C:30](=[O:32])[NH:40][c:41]3[n:42][n:43]([CH2:46][C:47]([CH3:48])([OH:49])[CH3:50])[cH:44][cH:45]3)[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