HRID1572137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12681920

2-(4-Bromophenyl)propan-2-ol

C9H11BrO

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(C(C)(C)O)cc2)S1)c1ccc(F)cc1

HCID178463619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f77b799a191047a88b00c460576a72a4
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

[Br:18][c:19]1[cH:20][cH:21][c:22]([C:25]([CH3:26])([CH3:27])[OH:28])[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.[CH3:29][C:30]1([c:31]2[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]2)[S:39][C:40]([NH:41][CH:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[C:49]([F:50])([F:51])[F:52])[CH3:53])=[N:54][C:55]1=[O:56]>>[CH3:1][C:2]1([c:19]2[cH:20][cH:21][c:22]([C:25]([CH3:26])([CH3:27])[OH:28])[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