HRID2339942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID3584690

5-Bromo-2-fluorophenylacetic acid

C8H6BrFO2

结构：CC1C(c2ccccc2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

HCID77163801

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：CC1C(c2ccccc2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1ccc(F)c(CC(=O)O)c1

HCID66891786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bdc09547dcf4f85b5849c0868648b9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:34][c:35]1[cH:36][cH:37][c:38]([F:45])[c:39]([CH2:41][C:42](=[O:43])[OH:44])[cH:40]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:1][CH:2]1[N:3]([CH2:14][c:15]2[c:16]([B:25]3[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]3)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[C:4](=[O:13])[O:5][CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[K+:50].[K+:51].[OH2:58].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([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)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[CH3:1][CH:2]1[N:3]([CH2:14][c:15]2[c:16](-[c:35]3[cH:36][cH:37][c:38]([F:45])[c:39]([CH2:41][C:42](=[O:43])[OH:44])[cH:40]3)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[C:4](=[O:13])[O:5][CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1