HRID317141

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

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID23142541

4,4,5,5-Tetramethyl-2-(spiro[2.5]oct-5-en-6-yl)-1,3,2-dioxaborolane

C14H23BO2

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCOCC3)cc2OS(=O)(=O)C(F)(F)F)CC1

HCID86601817

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)(C)OC(=O)N1CCN(c2ccc(N3CCOCC3)cc2C2=CCC3(CC2)CC3)CC1

HCID59769440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8c9436b7cae463980577650ae770c84
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:26][S:27]([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33])[cH:16][c:17]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:142][CH2:143][O:144][C:145](=[O:146])[CH3:147].[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[CH3:40][C:41]1([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46][B:47]([C:48]2=[CH:49][CH2:50][C:51]3([CH2:52][CH2:53]3)[CH2:54][CH2:55]2)[O:56]1.[K+:62].[K+:63].[K+:64].[OH2:148].[P:57]([O-:58])([O-:59])([O-:60])=[O:61].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([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)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([C:48]3=[CH:49][CH2:50][C:51]4([CH2:52][CH2:53]4)[CH2:54][CH2:55]3)[cH:16][c:17]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1