HRID306433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

HCID5359268

Aluminum

HCID10751184

Methyl 2-chloro-3-nitrobenzoate

C8H6ClNO4

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：COC(=O)c1cccc([N+](=O)[O-])c1-c1ccccc1OC

HCID22740443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29583fdb11b643d4be05f6a89deb7887
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

[Al:37].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:15][O:16][c:17]1[c:18]([B:23]([OH:24])[OH:25])[cH:19][cH:20][cH:21][cH:22]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]1[N+:12](=[O:13])[O-:14].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([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)[cH:113][cH:114]1>>[c:2]1(-[c:18]2[c:17]([O:16][CH3:15])[cH:22][cH:21][cH:20][cH:19]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]1[N+:12](=[O:13])[O-:14]