HRID1207323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID123564

tert-Butyldimethylsilyl trifluoromethanesulphonate

C7H15F3O3SSi

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(CC(O)C(C)(C)C)c2nc(C)nn12

HCID67009299

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c2nc(C)nn12

HCID67009015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a886bcb9d95a436c8ea2d1594d731f0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[F:50][C:51]([F:52])([F:53])[S:54]([O:55][Si:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62])(=[O:63])=[O:64].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH:1][CH:2]([CH2:3][n:4]1[c:5]2[n:6]([c:7]([CH2:26][CH2:27][CH3:28])[c:8]([CH2:11][c:12]3[cH:13][cH:14][c:15](-[c:18]4[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]4)[cH:16][cH:17]3)[c:9]1=[O:10])[n:29][c:30]([CH3:32])[n:31]2)[C:33]([CH3:34])([CH3:35])[CH3:36].[n:37]1[c:38]([CH3:39])[cH:40][cH:41][cH:42][c:43]1[CH3:44]>>[O:1]([CH:2]([CH2:3][n:4]1[c:5]2[n:6]([c:7]([CH2:26][CH2:27][CH3:28])[c:8]([CH2:11][c:12]3[cH:13][cH:14][c:15](-[c:18]4[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]4)[cH:16][cH:17]3)[c:9]1=[O:10])[n:29][c:30]([CH3:32])[n:31]2)[C:33]([CH3:34])([CH3:35])[CH3:36])[Si:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62]