HRID673569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID4912908

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

C10H17BN2O2

反应SMILES：CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1I)c(OCc1ccccc1)c2=O

HCID21070019

未命名化合物

反应SMILES：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

产物

反应SMILES：Cn1nccc1-c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C

HCID21069998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-579e057d8e184933b0bc8ef92e35ba15
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

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