HRID2310467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID123564

tert-Butyldimethylsilyl trifluoromethanesulphonate

C7H15F3O3SSi

结构：CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(C3CCCCC3)c2C(O)C1

HCID178423052

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(C3CCCCC3)c2C(O[Si](C)(C)C(C)(C)C)C1

HCID178423053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c25f88cbddd4ca59dccba5cb555a9a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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