HRID828716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1-c1cccs1

HCID69103033

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

结构：CC(C)(C)OC(=O)N(CCc1ccc(Br)cc1)CC(O)c1ccccc1

HCID178453141

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(CCN(CC(O)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1-c1cccs1

HCID178497478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-195b293bdeff40b99f5c67f61dc1f5b0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[OH:26])[cH:6][cH:7]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][c:37](-[c:45]3[s:46][cH:47][cH:48][cH:49]3)[c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44]2)[O:50]1.[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[OH2:69].[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[P:114]([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)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]1>>[c:2]1(-[c:35]2[cH:36][c:37](-[c:45]3[s:46][cH:47][cH:48][cH:49]3)[c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44]2)[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[OH:26])[cH:6][cH:7]1