HRID160678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID123564

tert-Butyldimethylsilyl trifluoromethanesulphonate

C7H15F3O3SSi

结构：CCCc1nc(CC)n(-c2ccc(OC(C)(C)CO)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460860

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(CC)n(-c2ccc(OC(C)(C)CO[Si](C)(C)C(C)(C)C)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a74bfc78edf40bcae88d7cd239a978b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([O:34][C:35]([CH2:36][OH:37])([CH3:38])[CH3:39])[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cl:63][CH2:64][Cl:65].[F:48][C:49]([F:50])([F:51])[S:52]([O:53][Si:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])(=[O:61])=[O:62].[n:40]1[c:41]([CH3:42])[cH:43][cH:44][cH:45][c:46]1[CH3:47]>>[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([O:34][C:35]([CH2:36][O:37][Si:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])([CH3:38])[CH3:39])[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1