HRID1131044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnnn1-c1ccc(C#N)cc1

HCID66738504

未命名化合物

结构：CNC(=O)c1nc(Br)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID66738659

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1nc(-c2cnnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID24890142

6-[1-(4-Cyanophenyl)-1H-1,2,3-triazol-5-yl]-3,4-dihydro-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-2-pyrazinecarboxamide

C23H16F3N7O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b51fe1fa562b4f1191f3c41774384c3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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