HRID102071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID178

Acetamide

C2H5NO

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(Cl)ncn5)ccc34)cc2C(F)(F)F)CC1

HCID86624935

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(C(F)(F)F)c4)cccc3c2)ncn1

HCID67406757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be776fc9c1994fc0acbb61f4c80775d8
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][N:11]([CH2:14][c:15]2[c:16]([C:42]([F:43])([F:44])[F:45])[cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][c:28]4[cH:29][c:30]([O:34][c:35]5[n:36][cH:37][n:38][c:39]([Cl:41])[cH:40]5)[cH:31][cH:32][c:33]34)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:46][C:47]([NH2:48])=[O:49].[Cs+:54].[Cs+:55].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:62].[Pd:63].[Pd:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[c:16]([C:42]([F:43])([F:44])[F:45])[cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][c:28]4[cH:29][c:30]([O:34][c:35]5[n:36][cH:37][n:38][c:39]([NH:48][C:47]([CH3:46])=[O:49])[cH:40]5)[cH:31][cH:32][c:33]34)[cH:19][cH:20]2)[CH2:12][CH2:13]1