HRID318941

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

HCID49761746

2,5-Dichloro-4-methoxypyrimidine

C5H4Cl2N2O

HCID58456395

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

C14H16N2OS

PRODUCTS

生成物

结构：COc1nc(Nc2cc(C)cc(-c3cnc(C4(O)CCC4)s3)c2)ncc1Cl

HCID58456246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-468109cbce3e4cfeb3cc6a81a235be04
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

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