HRID2134450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：Cn1c(=O)c(Br)cc2cnn(-c3c(F)cccc3F)c21

HCID46197691

未命名化合物

HCID67198949

3-Borono-5-fluoro-4-methylbenzoic acid

C8H8BFO4

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：Cc1c(F)cc(C(=O)O)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O

HCID68739714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06c6dc4c5da1410fb6518f566338af71
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

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