HRID675385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：COc1cn(-c2cc(I)ccc2F)nc(C(=O)N(C)OC)c1=O

HCID59436238

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：COc1cn(-c2cc(-c3cnn(C)c3)ccc2F)nc(C(=O)N(C)OC)c1=O

HCID59436224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72676317d97b4fb2a0551c36dd5b4a25
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:39](=[O:40])([O-:41])[O-:42].[CH3:24][n:25]1[n:26][cH:27][c:28]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:29]1.[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([C:18](=[O:19])[N:20]([CH3:21])[O:22][CH3:23])[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][c:5]([I:8])[cH:6][cH:7]1.[Na+:43].[Na+:44].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[OH2:51].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([C:18](=[O:19])[N:20]([CH3:21])[O:22][CH3:23])[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][c:5](-[c:28]2[cH:27][n:26][n:25]([CH3:24])[cH:29]2)[cH:6][cH:7]1