HRID319368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

HCID22319493

未命名化合物

HCID22319501

4-(Benzyloxy)-1-bromo-2-chlorobenzene

C13H10BrClO

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：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(OCc4ccccc4)cc3Cl)ccc12

HCID22319610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4cc3de4f8be41ea858dafc5a58ba53e
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

[Br:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]3[c:35]([NH:48][C:49]([CH2:50][CH2:51][CH3:52])=[O:53])[n:36][n:37]([CH2:40][O:41][CH2:42][CH2:43][Si:44]([CH3:45])([CH3:46])[CH3:47])[c:38]3[cH:39]2)[O:54]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Na+:17].[Na+:18].[O-:19][C:20](=[O:21])[O-:22].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[OH2:61].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]3[c:35]([NH:48][C:49]([CH2:50][CH2:51][CH3:52])=[O:53])[n:36][n:37]([CH2:40][O:41][CH2:42][CH2:43][Si:44]([CH3:45])([CH3:46])[CH3:47])[c:38]3[cH:39]2)[c:3]([Cl:16])[cH:4][c:5]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1