HRID114152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID20761785

N-[2-(Diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

C14H23N3O2

HCID22135407

4-Pyridin-3-yl-1,3-dihydroindol-2-one

C13H10N2O

PRODUCTS

生成物

结构：CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4cccnc4)c32)c1C

HCID24941219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afe79d713b494482bc2ceca029dd8e1d
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

[CH2:17]([CH3:18])[N:19]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]1[c:26]([CH3:33])[nH:27][c:28]([CH:31]=[O:32])[c:29]1[CH3:30])[CH2:34][CH3:35].[CH2:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:43][CH2:44][OH:45].[OH2:42].[n:1]1[cH:2][c:3](-[c:7]2[c:8]3[c:12]([cH:13][cH:14][cH:15]2)[NH:11][C:10](=[O:16])[CH2:9]3)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:7]2[c:8]3[c:12]([cH:13][cH:14][cH:15]2)[NH:11][C:10](=[O:16])[C:9]3=[CH:31][c:28]2[nH:27][c:26]([CH3:33])[c:25]([C:23]([NH:22][CH2:21][CH2:20][N:19]([CH2:17][CH3:18])[CH2:34][CH3:35])=[O:24])[c:29]2[CH3:30])[cH:4][cH:5][cH:6]1