HRID1217104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID88012

5-Aminoindazole

C7H7N3

HCID57755876

未命名化合物

PRODUCTS

生成物

结构：O=C1NC=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N1

HCID11175561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d44442b7677d4fc7974c0b3561315564
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

[CH2:29]([Cl:30])[CH2:31][Cl:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][N:41]([c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1)[CH3:48].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[NH:9][C:10](=[O:18])[NH:11][CH:12]=[C:13]2[C:14]([O:16][CH3:15])=[O:17])[cH:6][cH:7]1.[NH2:19][c:20]1[cH:21][c:22]2[cH:23][n:24][nH:25][c:26]2[cH:27][cH:28]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:49]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[NH:9][C:10](=[O:18])[NH:11][CH:12]=[C:13]2[C:14](=[O:16])[NH:19][c:20]2[cH:21][c:22]3[cH:23][n:24][nH:25][c:26]3[cH:27][cH:28]2)[cH:6][cH:7]1