HRID1226829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

反应SMILES：Cc1cc(C(=O)NCCn2ccnn2)c(C=O)[nH]1

HCID20761619

未命名化合物

HCID22561874

4-(2-Fluorophenyl)-1,3-dihydro-indol-2-one

C14H10FNO

PRODUCTS

产物

反应SMILES：Cc1cc(C(=O)NCCn2ccnn2)c(C=C2C(=O)Nc3cccc(-c4ccccc4F)c32)[nH]1

HCID72637599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-98ad3ca7f04f4874853260723b3a728c
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

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