HRID2332556

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

结构：CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)CC(C)(C)C1

HCID23142059

4,4,5,5-Tetramethyl-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane

C16H29BO2

结构：CC(C)(C)OC(=O)N1CCC(c2cc(F)ccc2OS(=O)(=O)C(F)(F)F)CC1

HCID59769454

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：CC1(C)C=C(c2ccc(F)cc2C2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1

HCID59769386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca69b22dea844e51bcec72c293ab01ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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