HRID95814

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：Cn1cc(Br)nc(Nc2ccc(F)c([N+](=O)[O-])c2)c1=O

HCID58728974

未命名化合物

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

HCID58728993

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(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(F)c([N+](=O)[O-])c2)n1

HCID58729125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5925675d53cd43b09649d190bc87aa6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([NH:10][c:11]2[cH:12][c:13]([N+:18](=[O:19])[O-:20])[c:14]([F:17])[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:31][c:32]2[c:33]([CH3:47])[c:34]([B:38]3[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]3)[cH:35][cH:36][cH:37]2)[cH:48][cH:49]1.[CH3:133][O:134][CH2:135][CH2:136][O:137][CH3:138].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:34]2[c:33]([CH3:47])[c:32]([NH:31][C:29]([c:28]3[cH:27][cH:26][c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:49][cH:48]3)=[O:30])[cH:37][cH:36][cH:35]2)[n:3][c:4]([NH:10][c:11]2[cH:12][c:13]([N+:18](=[O:19])[O-:20])[c:14]([F:17])[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1