HRID936496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6344

Dichloromethane

CH2Cl2

HCID6375

Nitromethane

CH3NO2

HCID8857

Ethyl acetate

C4H8O2

HCID61778

Bisulfate anion

HO4S-

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID68510

2,6-Di-tert-butylpyridine

C13H21N

HCID80252

Propanoic acid, 3-hydroxy-, methyl ester

C4H8O3

结构：CN(C1CCC(O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID11652958

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

HCID11531916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-797a104aad55498ebe11475252cb308a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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