HRID1574428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

反应SMILES：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID59473769

未命名化合物

反应SMILES：CC(C)N1CCN(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1

HCID66742221

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)OCc1c(-c2cc(Nc3ccc(N4CCN(C(C)C)CC4)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID66743191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8bfab6c4f1aa4173a0d285c50dfe1512
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:26]([CH3:27])(=[O:28])[O:29][CH2:30][c:31]1[c:32](-[n:46]2[c:47](=[O:61])[c:48]3[c:49]([F:60])[cH:50][c:51]([C:56]([CH3:57])([CH3:58])[CH3:59])[cH:52][c:53]3[cH:54][n:55]2)[cH:33][cH:34][cH:35][c:36]1[B:37]1[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]1.[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([CH:23]([CH3:24])[CH3:25])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[OH2:68].[Pd:69].[Pd:70]>>[c:2]1(-[c:36]2[c:31]([CH2:30][O:29][C:26]([CH3:27])=[O:28])[c:32](-[n:46]3[c:47](=[O:61])[c:48]4[c:49]([F:60])[cH:50][c:51]([C:56]([CH3:57])([CH3:58])[CH3:59])[cH:52][c:53]4[cH:54][n:55]3)[cH:33][cH:34][cH:35]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([CH:23]([CH3:24])[CH3:25])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1