HRID107747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID22480284

3-(4-Fluorophenyl)-1H-indazol-5-amine

C13H10FN3

结构：CC1=C(C(=O)O)C(c2cc(F)cc(F)c2)NC(=O)N1

HCID57755878

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)C(c2cc(F)cc(F)c2)NC(=O)N1

HCID57755856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-229433568efc4df19a4656799cbc89d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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