HRID813259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID57345811

3-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanamide

C12H20BN3O3

结构：CC1Cc2ccc(Br)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402317

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：CC1Cc2ccc(-c3cnn(CCC(N)=O)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d44bd84bbe114b9ca558f64782c96c9c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2.[C:46](=[O:47])([OH:48])[O-:49].[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][n:37][n:38]([CH2:40][CH2:41][C:42](=[O:43])[NH2:44])[cH:39]2)[O:45]1.[CH3:58][OH:59].[Na+:50].[OH2:57].[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:36][n:37][n:38]([CH2:40][CH2:41][C:42](=[O:43])[NH2:44])[cH:39]2)[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2