HRID311517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6405

2-Methyl-2-butanol

C5H12O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID22391973

6-Bromo-α,α-dimethyl-3-pyridinemethanol

C8H10BrNO

结构：CC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1

HCID58335264

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1ccc(-c2nc(C(N)=O)c(Nc3ccc(C(C)(C)O)cn3)s2)cc1

HCID44623042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b8bf7dc696842458fed43b28671254a
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

[Br:20][c:21]1[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[OH:30])[cH:25][n:26]1.[C:31](=[O:32])([O-:33])[O-:34].[C:37]([OH:38])([CH2:39][CH3:40])([CH3:41])[CH3:42].[K+:35].[K+:36].[NH2:1][c:2]1[c:3]([C:17](=[O:18])[NH2:19])[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([C:13]([CH3:14])([CH3:15])[OH:16])[cH:11][cH:12]2)[s:6]1.[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44]>>[NH:1]([c:2]1[c:3]([C:17](=[O:18])[NH2:19])[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([C:13]([CH3:14])([CH3:15])[OH:16])[cH:11][cH:12]2)[s:6]1)[c:21]1[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[OH:30])[cH:25][n:26]1