HRID1139197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID574072

Trimethylboroxine

C3H9B3O3

结构：Cc1onc(-c2ccccc2)c1COc1ncc(C(=O)NC2CCOCC2)cc1Br

HCID68442799

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：Cc1cc(C(=O)NC2CCOCC2)cnc1OCc1c(-c2ccccc2)noc1C

HCID42629074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9810bd4003a436d9cfbe8f6d28bd72f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:17][CH2:18][c:19]2[c:20](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:21][o:22][c:23]2[CH3:24])[n:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:16]1.[CH3:31][B:32]1[O:33][B:34]([CH3:35])[O:36][B:37]([CH3:38])[O:39]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([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)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1([CH3:31])[c:3]([O:17][CH2:18][c:19]2[c:20](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:21][o:22][c:23]2[CH3:24])[n:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:16]1