HRID176080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID59436609

未命名化合物

HCID66652794

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=[N+]([O-])c1nn(C2CCCCO2)cc1-c1cc(C(F)(F)F)ccc1O

HCID66905581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c12fecc42334a6892cfc295035aebdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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