HRID157220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2734660

3-Chloro-4-fluorophenylboronic acid

C6H5BClFO2

结构：CCCC(NC(c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

HCID72366003

未命名化合物

结构：CCCC(NC(c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

HCID178448936

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(c1ccc(-c2ccc(F)c(Cl)c2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

HCID178448934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a321c2b332584d4f9d6bc4a2ba48b80d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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