HRID1135238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID68510

2,6-Di-tert-butylpyridine

C13H21N

HCID104967

Cesium(1+)

Cs+

2 次

HCID68821254

未命名化合物

HCID86597820

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(SCC(C)(C)CC#Cc2ccc(OC(F)(F)F)cc2)cc1C

HCID69457696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d8079d5cd4a4d47959d54be79165620
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:20]([c:21]1[cH:22][cH:23][cH:24][c:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[n:30]1)([CH3:31])([CH3:32])[CH3:33].[C:69](=[O:70])([O-:71])[O-:72].[CH2:49]([CH3:50])[O:51][C:52]([C:53]([CH3:54])([CH3:55])[O:56][c:57]1[c:58]([CH3:67])[cH:59][c:60]([S:63][C:64](=[O:65])[CH3:66])[cH:61][cH:62]1)=[O:68].[CH3:1][C:2]([CH2:3][OH:4])([CH2:5][C:6]#[C:7][c:8]1[cH:9][cH:10][c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:12][cH:13]1)[CH3:19].[CH3:78][C:79]#[N:80].[CH3:81][OH:82].[Cl:75][CH2:76][Cl:77].[Cs+:73].[Cs+:74].[F:34][C:35]([S:36]([O:37][S:38]([C:39]([F:40])([F:41])[F:42])(=[O:43])=[O:44])(=[O:45])=[O:46])([F:47])[F:48]>>[CH3:1][C:2]([CH2:3][S:63][c:60]1[cH:59][c:58]([CH3:67])[c:57]([O:56][C:53]([C:52]([O:51][CH2:49][CH3:50])=[O:68])([CH3:54])[CH3:55])[cH:62][cH:61]1)([CH2:5][C:6]#[C:7][c:8]1[cH:9][cH:10][c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:12][cH:13]1)[CH3:19]