HRID698145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID70622

2-Amino-5-bromopyridine

C5H5BrN2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID45480279

tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate

C19H32BN3O4

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：CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N)nc3)cn2)CC1

HCID67521537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ead806c8fcae460ba7fc24bf8be6d135
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

[C:36](=[O:37])([O-:38])[O-:39].[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][CH:19]([n:22]2[n:23][cH:24][c:25]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[cH:26]2)[CH2:20][CH2:21]1.[CH3:127][CH2:128][CH2:129][CH2:130][CH2:131][CH3:132].[Cl:134][CH2:135][Cl:136].[Cs+:40].[Cs+:41].[N:42]#[N:43].[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][cH:7]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:133].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([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)[cH:125][cH:126]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:25]2[cH:24][n:23][n:22]([CH:19]3[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH2:20]3)[cH:26]2)[cH:6][cH:7]1