HRID2158773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2733957

未命名化合物

HCID59233714

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：O=C(O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1

HCID59233741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-683988745f6843ab916d9f5cbb6da875
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:13][c:14]1[cH:15][c:16]2[c:17]([n:18][cH:19]1)[o:20][c:21](-[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1)[cH:22]2.[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[Cs+:34].[Cs+:35].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P: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)([P: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)[P: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]1>>[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6](-[c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19]2)[o:20][c:21](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:22]3)[cH:7][cH:8][cH:9]1