HRID822418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6422

未命名化合物

HCID13396

Benzonitrile, 4-amino-

C7H6N2

HCID73910

Diphenylphosphinic chloride

C12H10ClOP

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)cc(F)c12

HCID76741111

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C#N)cc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)cc(F)c12

HCID75986161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cbe5c6512374dc5a4e718eb4bfd0cc2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:73][CH2:74][CH2:75][Cl:76].[Cl:8][c:9]1[cH:10][c:11]([F:39])[c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:32])[OH:33])[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:64][c:65]1[cH:66][cH:67][c:68]([C:69]#[N:70])[cH:71][cH:72]1.[c:49]1([P:50]([Cl:51])([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)=[O:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[Cl:8][c:9]1[cH:10][c:11]([F:39])[c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:33])[NH:64][c:65]2[cH:66][cH:67][c:68]([C:69]#[N:70])[cH:71][cH:72]2)[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1