HRID1204239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID45090504

6-Fluoro-1H-indazol-5-amine

C7H6FN3

HCID68827256

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2CC(=O)NC(C)=C2C(=O)Nc2cc3cn[nH]c3cc2F)ccc1Cl

HCID57845282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0d10671403a49ffb0a7dd02db7ee0d9
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

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