HRID1224166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID21278621

2,5-Dichloro-4-methylpyrimidine

C5H4Cl2N2

HCID58456395

1-[5-(3-Amino-5-methylphenyl)-2-thiazolyl]cyclobutanol

C14H16N2OS

PRODUCTS

生成物

结构：Cc1cc(Nc2ncc(Cl)c(C)n2)cc(-c2cnc(C3(O)CCC3)s2)c1

HCID58456294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee2f7546780042d1969100e3c3416eee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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