HRID1138556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1c2c(cc(Nc3cccnc3)cc2C(F)(F)F)C2CNCCC21

HCID21952613

未命名化合物

HCID21952757

3-Bromo-2-methoxy-5-methylpyridine

C7H8BrNO

结构：CN1c2c(C#N)cc(Nc3cnccc3C(F)(F)F)cc2C2CNCCC21

HCID178479885

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(C)cc1Nc1cc(C#N)c2c(c1)C1CNCCC1N2C

HCID178494168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e59802e053fc49948c3699d894f3e836
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:53][c:54]1[c:55]([O:61][CH3:62])[n:56][cH:57][c:58]([CH3:60])[cH:59]1.[CH3:1][N:2]1[c:3]2[c:4]([C:5]([F:6])([F:7])[F:8])[cH:9][c:10]([NH:11][c:12]3[cH:13][n:14][cH:15][cH:16][cH:17]3)[cH:18][c:19]2[CH:20]2[CH2:21][NH:22][CH2:23][CH2:24][CH:25]12.[CH3:26][N:27]1[CH:28]2[CH:29]([c:30]3[cH:31][c:32]([NH:38][c:39]4[cH:40][n:41][cH:42][cH:43][c:44]4[C:45]([F:46])([F:47])[F:48])[cH:33][c:34]([C:36]#[N:37])[c:35]31)[CH2:49][NH:50][CH2:51][CH2:52]2>>[CH3:26][N:27]1[CH:28]2[CH:29]([c:30]3[cH:31][c:32]([NH:38][c:54]4[c:55]([O:61][CH3:62])[n:56][cH:57][c:58]([CH3:60])[cH:59]4)[cH:33][c:34]([C:36]#[N:37])[c:35]31)[CH2:49][NH:50][CH2:51][CH2:52]2