HRID115521

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

结构：CC(C)[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C

HCID2724529

Triisopropylsilyl trifluoromethanesulfonate

C10H21F3O3SSi

结构：CCCc1nc(C)n(-c2ccc3c(c2)C(O)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460407

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc3c(c2)C(O[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1b4676c8aa04269a67ab28148ab75c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:66][CH2:67][Cl:68].[F:48][C:49]([F:50])([F:51])[S:52]([O:53][Si:54]([CH:55]([CH3:56])[CH3:57])([CH:58]([CH3:59])[CH3:60])[CH:61]([CH3:62])[CH3:63])(=[O:64])=[O:65].[OH:1][CH:2]1[CH2:3][C:4]([CH3:38])([CH3:39])[O:5][c:6]2[cH:7][cH:8][c:9](-[n:12]3[c:13]([CH3:37])[n:14][c:15]([CH2:34][CH2:35][CH3:36])[c:16]([CH2:19][c:20]4[cH:21][cH:22][c:23](-[c:26]5[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]5)[cH:24][cH:25]4)[c:17]3=[O:18])[cH:10][c:11]21.[n:40]1[c:41]([CH3:42])[cH:43][cH:44][cH:45][c:46]1[CH3:47]>>[O:1]([CH:2]1[CH2:3][C:4]([CH3:38])([CH3:39])[O:5][c:6]2[cH:7][cH:8][c:9](-[n:12]3[c:13]([CH3:37])[n:14][c:15]([CH2:34][CH2:35][CH3:36])[c:16]([CH2:19][c:20]4[cH:21][cH:22][c:23](-[c:26]5[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]5)[cH:24][cH:25]4)[c:17]3=[O:18])[cH:10][c:11]21)[Si:54]([CH:55]([CH3:56])[CH3:57])([CH:58]([CH3:59])[CH3:60])[CH:61]([CH3:62])[CH3:63]