HRID677778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734807

Trivinylboroxin

C6H9B3O3

结构：CCCOc1nc(Br)c(C=NO)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

HCID59283901

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：C=Cc1nc(OCCC)n(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2F)c1C=NO

HCID72572956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f7f245afa7c48a5a749977c24feab59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:34])[c:17]([CH2:20][n:21]3[c:22]([O:30][CH2:31][CH2:32][CH3:33])[n:23][c:24]([Br:29])[c:25]3[CH:26]=[N:27][OH:28])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[C:60](=[O:61])([O-:62])[O-:63].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[CH:48]([B:49]1[O:50][B:51]([CH:52]=[CH2:53])[O:54][B:55]([CH:56]=[CH2:57])[O:58]1)=[CH2:59].[K+:64].[K+:65].[OH2:41].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[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)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1.[n:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:34])[c:17]([CH2:20][n:21]3[c:22]([O:30][CH2:31][CH2:32][CH3:33])[n:23][c:24]([CH:37]=[CH2:38])[c:25]3[CH:26]=[N:27][OH:28])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1