HRID1226158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(F)c1NC(=O)c1cc2ccccc2s1

HCID58540259

N-[6-Fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[b]thiophene-2-carboxamide

C22H23BFNO3S

HCID58540316

6-Chloro-4-[(4,5,6,7-tetrahydro-5-methylpyrazolo[1,5-a]pyrazin-2-yl)amino]-3(2H)-pyridazinone

C11H13ClN6O

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(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ccccc2s1

HCID58540422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77c26d186a104c25aa4a85c0354a20b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:132][O:133][CH2:134][CH2:135][O:136][CH3:137].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][n:12]3[c:13]([cH:19]2)[CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[c:5](=[O:8])[nH:6][n:7]1.[F:20][c:21]1[cH:22][cH:23][c:24]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[c:25]([CH3:39])[c:26]1[NH:27][C:28](=[O:29])[c:30]1[cH:31][c:32]2[c:33]([s:34]1)[cH:35][cH:36][cH:37][cH:38]2.[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>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([F:20])[c:26]([NH:27][C:28](=[O:29])[c:30]3[cH:31][c:32]4[c:33]([s:34]3)[cH:35][cH:36][cH:37][cH:38]4)[c:25]2[CH3:39])[cH:3][c:4]([NH:9][c:10]2[n:11][n:12]3[c:13]([cH:19]2)[CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[c:5](=[O:8])[nH:6][n:7]1