HRID1555724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CSc1nccc(-n2cc(Br)c3ccc(-c4cccc([N+](=O)[O-])c4)cc32)n1

HCID50991543

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：COc1ccc(-c2cn(-c3ccnc(SC)n3)c3cc(-c4cccc([N+](=O)[O-])c4)ccc23)cc1

HCID50991924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c073a04e5d734950bdc0fe8a2b7ea733
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

[Br:6][c:7]1[cH:8][n:9](-[c:25]2[n:26][c:27]([S:31][CH3:32])[n:28][cH:29][cH:30]2)[c:10]2[cH:11][c:12](-[c:16]3[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]3)[cH:13][cH:14][c:15]12.[CH3:130][CH2:131][O:132][C:133](=[O:134])[CH3:135].[CH3:41][O:42][c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1.[K+:38].[K+:39].[K+:40].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:129].[P:33]([O-:34])([O-:35])([O-:36])=[O:37].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[P:96]([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)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:7]1(-[c:46]2[cH:45][cH:44][c:43]([O:42][CH3:41])[cH:48][cH:47]2)[cH:8][n:9](-[c:25]2[n:26][c:27]([S:31][CH3:32])[n:28][cH:29][cH:30]2)[c:10]2[cH:11][c:12](-[c:16]3[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]3)[cH:13][cH:14][c:15]12