HRID1565771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10797

2-Methylfuran

C5H6O

HCID19660

Carbonate

CO3-2

HCID2734372

5-Methylfuran-2-boronic acid

C5H7BO3

HCID178418667

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：Cc1ccc(-c2nc(N)nc(O)c2[N+](=O)[O-])o1

HCID178423996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2436b2fe78b748f58f7641551a54f732
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:117]1[O:118][CH2:119][CH2:120][CH2:121]1.[CH3:111][CH2:112][O:113][C:114](=[O:115])[CH3:116].[CH3:19][c:20]1[cH:21][cH:22][c:23]([B:25]([OH:26])[OH:27])[o:24]1.[CH3:28][c:29]1[o:30][cH:31][cH:32][cH:33]1.[NH2:7][c:8]1[n:9][c:10]([Cl:18])[c:11]([N+:15](=[O:16])[O-:17])[c:12]([OH:14])[n:13]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([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)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1>>[NH2:7][c:8]1[n:9][c:10](-[c:23]2[cH:22][cH:21][c:20]([CH3:19])[o:24]2)[c:11]([N+:15](=[O:16])[O-:17])[c:12]([OH:14])[n:13]1