HRID288657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID73910

Diphenylphosphinic chloride

C12H10ClOP

HCID81531

Diisopropylethylamine

C8H19N

HCID11815931

4-Amino-3-methoxybenzonitrile

C8H8N2O

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

HCID66625042

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C#N)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1

HCID75986159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fc2ffc2e8aa4fb3a9ed059b5dabe1ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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