HRID169834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(I)ccc1O

HCID11190699

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-benzamide

C15H8F6INO2

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=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)ccc1O

HCID11750632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50b69922fb71440faee1ab379627e46d
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

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