HRID209804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID3702122

4-Acetylphenylboronic acid

C8H9BO3

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(C(C)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

HCID178448932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f642aeb986294eb3a519d5320fb0139d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:47][c:48]1[cH:49][cH:50][c:51]([CH:52]([NH:53][CH:54]([C:55]([NH:56][C:57]2([C:58]#[N:59])[CH2:60][CH2:61]2)=[O:62])[CH2:63][CH2:64][CH3:65])[C:66]([F:67])([F:68])[F:69])[cH:70][cH:71]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:27]([CH3:28])(=[O:29])=[O:30])[cH:25][cH:26]3)[cH:19][cH:20]2)[CH2:31][CH2:32][CH3:33])=[O:34])[CH2:4][CH2:5]1.[C:35]([CH3:36])(=[O:37])[c:38]1[cH:39][cH:40][c:41]([B:42]([OH:43])[OH:44])[cH:45][cH:46]1.[Cl:72][CH2:73][Cl:74]>>[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]([C:35]([CH3:36])=[O:37])[cH:25][cH:26]3)[cH:19][cH:20]2)[CH2:31][CH2:32][CH3:33])=[O:34])[CH2:4][CH2:5]1