HRID1545592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2737788

4-(Benzyloxy)-3-fluorophenylboronic acid

C13H12BFO3

HCID68516883

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：Cn1c(NCC2CC2)ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O

HCID68513737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26c540ecf7624b678dbff94a8582db5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[c:3](=[O:14])[n:4]([CH3:13])[c:5]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12]2)[n:6][cH:7]1.[C:41](=[O:42])([O-:43])[O-:44].[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:22][c:23]1[c:24]([F:32])[cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1.[Cl-:34].[Li+:33].[Na+:45].[Na+:46].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]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:2]1(-[c:26]2[cH:25][c:24]([F:32])[c:23]([O:22][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:28][cH:27]2)[c:3](=[O:14])[n:4]([CH3:13])[c:5]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12]2)[n:6][cH:7]1