HRID690644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID22032303

2-[4-(Difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H17BF2O3

结构：COC(=O)C1CCN(CCOc2cc(Nc3ncc(Br)cn3)ccc2F)CC1

HCID58542307

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(=O)C1CCN(CCOc2cc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)ccc2F)CC1

HCID68729011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd581a1289264b1c8cc389efdf500b82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:28])[c:13]([O:14][CH2:15][CH2:16][N:17]3[CH2:18][CH2:19][CH:20]([C:23](=[O:24])[O:25][CH3:26])[CH2:21][CH2:22]3)[cH:27]2)[n:6][cH:7]1.[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[F:29][CH:30]([O:31][c:32]1[cH:33][cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1)[F:47].[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[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:2]1(-[c:35]2[cH:34][cH:33][c:32]([O:31][CH:30]([F:29])[F:47])[cH:37][cH:36]2)[cH:3][n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:28])[c:13]([O:14][CH2:15][CH2:16][N:17]3[CH2:18][CH2:19][CH:20]([C:23](=[O:24])[O:25][CH3:26])[CH2:21][CH2:22]3)[cH:27]2)[n:6][cH:7]1