HRID1549845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID73910

Diphenylphosphinic chloride

C12H10ClOP

HCID81531

Diisopropylethylamine

C8H19N

HCID10058989

TERT-BUTYL 4-AMINO-2-FLUOROBENZOATE

C11H14FNO2

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID66688251

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C(=O)OC(C)(C)C)c(F)c2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID75095781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd9d5b183baf45d3920d7d50ea611caa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[OH:30])[NH: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:78][CH2:79][Cl:80].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[NH2:63][c:64]1[cH:65][c:66]([F:77])[c:67]([C:68](=[O:69])[O:70][C:71]([CH3:72])([CH3:73])[CH3:74])[cH:75][cH:76]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:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:63][c:64]3[cH:65][c:66]([F:77])[c:67]([C:68](=[O:69])[O:70][C:71]([CH3:72])([CH3:73])[CH3:74])[cH:75][cH:76]3)[NH: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