HRID104233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2775621

1-(1-bromoethyl)-2-(trifluoromethyl)benzene

C9H8BrF3

结构：COC(=O)c1sc(-n2cnc3cc(CO[Si](C)(C)C(C)(C)C)ncc32)cc1O

HCID68766004

未命名化合物

结构：COC(=O)c1sc(-n2cnc3cnc(CO[Si](C)(C)C(C)(C)C)cc32)cc1O

HCID68766707

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-n2cnc3cc(CO[Si](C)(C)C(C)(C)C)ncc32)cc1OC(C)c1ccccc1C(F)(F)F

HCID68770304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38bfae9ff97c45139b76ca0643ca4ed6
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

[Br:63][CH:64]([CH3:65])[c:66]1[c:67]([C:72]([F:73])([F:74])[F:75])[cH:68][cH:69][cH:70][cH:71]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][c:8]1[cH:9][c:10]2[c:11]([cH:12][n:13]1)[n:14](-[c:17]1[cH:18][c:19]([OH:26])[c:20]([C:22](=[O:23])[O:24][CH3:25])[s:21]1)[cH:15][n:16]2)([CH3:27])[CH3:28].[C:29]([Si:30]([CH3:31])([CH3:32])[O:33][CH2:34][c:35]1[n:36][cH:37][c:38]2[n:39][cH:40][n:41](-[c:42]3[s:43][c:44]([C:45]([O:46][CH3:47])=[O:48])[c:49]([OH:50])[cH:51]3)[c:52]2[cH:53]1)([CH3:54])([CH3:55])[CH3:56].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[K+:57].[K+:58].[O-:59][C:60]([O-:61])=[O:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][c:8]1[cH:9][c:10]2[c:11]([cH:12][n:13]1)[n:14](-[c:17]1[cH:18][c:19]([O:26][CH:64]([CH3:65])[c:66]3[c:67]([C:72]([F:73])([F:74])[F:75])[cH:68][cH:69][cH:70][cH:71]3)[c:20]([C:22](=[O:23])[O:24][CH3:25])[s:21]1)[cH:15][n:16]2)([CH3:27])[CH3:28]