HRID94085

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

HCID73910

Diphenylphosphinic chloride

C12H10ClOP

HCID81531

Diisopropylethylamine

C8H19N

HCID2756431

4-Amino-3-fluorobenzonitrile

C7H5FN2

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID66625245

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C#N)cc2F)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID75986020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d1021ae1ba1488b826e4a211dd3a752
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:73][CH2:74][CH2:75][Cl:76].[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]([CH2:34][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].[NH2:63][c:64]1[c:65]([F:72])[cH:66][c:67]([C:68]#[N:69])[cH:70][cH:71]1.[c:48]1([P:49]([Cl:50])([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)=[O:57])[cH:58][cH:59][cH:60][cH:61][cH:62]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]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:33])[NH:63][c:64]2[c:65]([F:72])[cH:66][c:67]([C:68]#[N:69])[cH:70][cH:71]2)[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1