HRID286571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID2734622

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C12H17BO3

HCID58857066

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：CC(C)COC(=O)N1CCN(c2cc(-c3ccccc3O)ncn2)CC1

HCID135547514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32a7c57c86bb49c4990eb19be51b5acd
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

[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[c:30]([OH:35])[cH:31][cH:32][cH:33][cH:34]2)[O:36]1.[CH3:43][C:44]#[N:45].[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][CH2:17][CH:18]([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1.[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[OH2:123].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([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)([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)[cH:121][cH:122]1>>[c:2]1(-[c:29]2[c:30]([OH:35])[cH:31][cH:32][cH:33][cH:34]2)[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][CH2:17][CH:18]([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1