HRID92468

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(C2CCC(OCC3(CO)CCC3)CC2)c2ncnn12

HCID67009296

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC3(CO[Si](C)(C)C(C)(C)C)CCC3)CC2)c2ncnn12

HCID67009963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef28f35d416c4745b2b09f3f21aa582c
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

[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[F:56][C:57]([F:58])([F:59])[S:60]([O:61][Si:62]([CH3:63])([CH3:64])[C:65]([CH3:66])([CH3:67])[CH3:68])(=[O:69])=[O:70].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH:1][CH2:2][C:3]1([CH2:7][O:8][CH:9]2[CH2:10][CH2:11][CH:12]([n:15]3[c:16]4[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]5[cH:24][cH:25][c:26](-[c:29]6[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]6)[cH:27][cH:28]5)[c:20]3=[O:21])[n:40][cH:41][n:42]4)[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1.[n:43]1[c:44]([CH3:45])[cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[O:1]([CH2:2][C:3]1([CH2:7][O:8][CH:9]2[CH2:10][CH2:11][CH:12]([n:15]3[c:16]4[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]5[cH:24][cH:25][c:26](-[c:29]6[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]6)[cH:27][cH:28]5)[c:20]3=[O:21])[n:40][cH:41][n:42]4)[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1)[Si:62]([CH3:63])([CH3:64])[C:65]([CH3:66])([CH3:67])[CH3:68]