HRID318122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID79799

p-Tolueneboronic acid

C7H9BO2

结构：O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2Br)cc1

HCID19935790

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(-c2ccccc2-c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1

HCID19935776

5-(4'-Methyl[1,1'-biphenyl]-2-yl)-1-(4-nitrophenyl)-1H-tetrazole

C20H15N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-802f82e2fb2d48b2b2f0d8cc099b5e41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:18][c:19]1[c:20](-[c:25]2[n:26][n:27][n:28][n:29]2-[c:30]2[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]2)[cH:21][cH:22][cH:23][cH:24]1.[CH3:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[CH3:123][OH:124].[CH3:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[Na+:11].[Na+:12].[O-:13][C:14](=[O:15])[O-:16].[OH2:17].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([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)[cH:114][cH:115]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:19]2[c:20](-[c:25]3[n:26][n:27][n:28][n:29]3-[c:30]3[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]3)[cH:21][cH:22][cH:23][cH:24]2)[cH:6][cH:7]1