HRID693999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7412

Benzoyl chloride

C7H5ClO

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc(F)c(C#N)c(N)c1F

HCID59226948

未命名化合物

HCID66608809

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc(F)c(C#N)c(NC(=O)c2ccccc2)c1F

HCID59226951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f03082ba40854a17a75cc9e44c9b2c6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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