HRID98111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(B4OC(C)(C)C(C)(C)O4)c3)cn2)CC1

HCID53487960

tert-Butyl 4-{4-[6-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

C24H36BN5O4

HCID86633132

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：Cc1nc(-c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2N)cc2ccccc12

HCID67521605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc14f728ab454a278375555ab38d27f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1.[C:60](=[O:61])([O-:62])[O-:63].[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:35][c:36]1[n:37][c:38]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[cH:39][c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]12.[Cs+:64].[Cs+:65].[OH2:66].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([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)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23](-[c:38]4[n:37][c:36]([CH3:35])[c:45]5[c:40]([cH:39]4)[cH:41][cH:42][cH:43][cH:44]5)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1