HRID181384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

HCID7204877

2-Bromo-1,4-dimethyl-1H-imidazole

C5H7BrN2

结构：COC(CN(C(=O)CCOCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CCCCC1)OC

HCID59290414

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：COC(CN(C(=O)CCOCCc1cccc(-c2nc(C)cn2C)c1)C1CCCCC1)OC

HCID59290359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60e90addd0a84d9b9425cfe7d02b28f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:42][c:43]1[n:44]([CH3:49])[cH:45][c:46]([CH3:48])[n:47]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:50][OH:51].[CH:1]1([N:7]([C:8]([CH2:9][CH2:10][O:11][CH2:12][CH2:13][c:14]2[cH:15][c:16]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:17][cH:18][cH:19]2)=[O:29])[CH2:30][CH:31]([O:32][CH3:33])[O:34][CH3:35])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:40].[K+:41].[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>>[CH:1]1([N:7]([C:8]([CH2:9][CH2:10][O:11][CH2:12][CH2:13][c:14]2[cH:15][c:16](-[c:43]3[n:44]([CH3:49])[cH:45][c:46]([CH3:48])[n:47]3)[cH:17][cH:18][cH:19]2)=[O:29])[CH2:30][CH:31]([O:32][CH3:33])[O:34][CH3:35])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1