HRID2123959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID1516418

tert-Butyl (4-chloropyridin-2-yl)carbamate

C10H13ClN2O2

HCID56737703

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C12H16BFO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(-c2cc(F)ccc2O)ccn1

HCID136063621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44db51751f7445c1860801e03946d342
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

[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:18][c:19]1[cH:20][c:21]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[n:22][cH:23][cH:24]1.[F:1][c:2]1[cH:3][c:4]([B:9]2[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]2)[c:5]([OH:8])[cH:6][cH:7]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:45].[Pd:128].[c:109]1([P:110]([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.[c:52]1([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)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([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)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([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)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[F:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][c:21]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[n:22][cH:23][cH:24]2)[c:5]([OH:8])[cH:6][cH:7]1