HRID120853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2795273

1-(4-Bromophenyl)Cyclopropanecarbonitrile

C10H8BrN

HCID178435104

未命名化合物

结构：CC(NC1=NC(=O)C(C)(c2ccc(C#N)cc2)S1)c1ccccc1C(F)(F)F

HCID178463620

未命名化合物

PRODUCTS

生成物

结构：CC(NC1=NC(=O)C(C)(c2ccc(C3(C#N)CC3)cc2)S1)c1ccc(F)cc1

HCID178463618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d74aa4ac68454146be0f8b393b1de043
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

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