HRID169766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11601416

未命名化合物

HCID22285305

2-(4-Fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H18BFO3

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：COc1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F

HCID10236611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31bb482277ef4140800654bd32e75206
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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