HRID191120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

结构：CC1CC(OS(=O)(=O)C(F)(F)F)=CCN1C(=O)OC(C)(C)C

HCID22495590

未命名化合物

HCID22495642

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC1CC(c2cc(F)c(F)c3ccoc23)=CCN1C(=O)OC(C)(C)C

HCID22495676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4ccca6da9df40779ef95d5a2ff756fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH:23]([CH3:36])[CH2:24][C:25]([O:28][S:29]([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35])=[CH:26][CH2:27]1.[CH3:128][CH2:129][O:130][CH2:131][CH3:132].[F:1][c:2]1[c:3]([F:14])[cH:4][c:5]([B:11]([OH:12])[OH:13])[c:6]2[c:7]1[cH:8][cH:9][o:10]2.[K+:42].[K+:43].[K+:44].[O:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[P:37]([O-:38])([O-:39])([O-:40])=[O:41].[c:51]1([PH:52]([Pd:53]([PH:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([PH:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[PH:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1>>[F:1][c:2]1[c:3]([F:14])[cH:4][c:5]([C:25]2=[CH:26][CH2:27][N:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH:23]([CH3:36])[CH2:24]2)[c:6]2[c:7]1[cH:8][cH:9][o:10]2