HRID199107

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

结构：CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2F)CC(=O)N1C

HCID69002705

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2F)CC(=O)N1C

HCID11476792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c00da231be34462a71197e260a5f206
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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