HRID692017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID5200451

5-hydrazinylquinoline

C9H9N3

HCID10130016

Methyl 3-cyclopropyl-3-oxopropanoate

C7H10O3

HCID11449248

未命名化合物

HCID66877152

未命名化合物

PRODUCTS

生成物

HCID11300445

5-Cyclopropyl-1-(quinolin-5-yl)-1H-pyrazole-4-carboxylic acid

C16H13N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7c173d280764b5fa53734eb992a9d63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:11][N:12]([CH:13]=[C:14]([C:15](=[O:16])[CH:17]1[CH2:18][CH2:19]1)[C:20]([OH:21])=[O:22])[CH3:23].[CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6]([CH:7]1[CH2:8][CH2:9]1)=[O:10].[CH3:38][O:39][C:40](=[O:41])[c:42]1[cH:43][n:44][n:45](-[c:50]2[c:51]3[cH:52][cH:53][cH:54][n:55][c:56]3[cH:57][cH:58][cH:59]2)[c:46]1[CH:47]1[CH2:48][CH2:49]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:24].[ClH:25].[NH:26]([c:27]1[cH:28][cH:29][cH:30][c:31]2[c:32]1[cH:33][cH:34][cH:35][n:36]2)[NH2:37]>>[O:39]=[C:40]([OH:41])[c:42]1[cH:43][n:44][n:45](-[c:50]2[c:51]3[cH:52][cH:53][cH:54][n:55][c:56]3[cH:57][cH:58][cH:59]2)[c:46]1[CH:47]1[CH2:48][CH2:49]1