HRID691483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)C1

HCID22495548

1,1-Dimethylethyl 3,6-dihydro-3,3-dimethyl-4-[[(trifluoromethyl)sulfonyl]oxy]-1(2H)-pyridinecarboxylate

C13H20F3NO5S

HCID22495642

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2cc(F)c(F)c3ccoc23)C(C)(C)C1

HCID22495728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f49eb05bce68499eba3aace3b53b155d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([CH3:22])([CH3:23])[C:11]([O:14][S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21])=[CH:12][CH2:13]1.[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH2:75]([OH:76])[CH2:77][CH3:78].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cl-:59].[F:44][c:45]1[c:46]([F:57])[cH:47][c:48]([B:54]([OH:55])[OH:56])[c:49]2[c:50]1[cH:51][cH:52][o:53]2.[Li+:58].[Na+:60].[Na+:61].[O-:62][C:63](=[O:64])[O-:65].[O:24].[Pd+2:70].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([CH3:22])([CH3:23])[C:11]([c:48]2[cH:47][c:46]([F:57])[c:45]([F:44])[c:50]3[c:49]2[o:53][cH:52][cH:51]3)=[CH:12][CH2:13]1