HRID800798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID57691239

未命名化合物

HCID67503238

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2ccc(C(F)(F)C(=O)NNc3ncc(-c4cnn(C)c4)cc3F)cc2c1

HCID57691327

α,α-Difluoro-3-methoxy-6-quinolineacetic acid 2-[3-fluoro-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]hydrazide

C21H17F3N6O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f686a9447ff4c588e45e247e7f51357
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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