HRID308555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

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

HCID66760134

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：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(Cl)cc34)cn2)CC1

HCID66760514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfd49886e1aa4d73bd055b072a5e9f77
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

[CH3:13][C:14]1([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19][B:20]([c:21]2[cH:22][n:23][n:24]([CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)[cH:25]2)[O:39]1.[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([NH2:11])[n:7][cH:8][c:9]2[I:10])[o:12]1.[K+:42].[K+:43].[N:40]#[N:41].[O-:44][C:45]([O-:46])=[O:47].[OH2:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([NH2:11])[n:7][cH:8][c:9]2-[c:21]2[cH:22][n:23][n:24]([CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)[cH:25]2)[o:12]1