HRID2343182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID22135407

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

C13H10N2O

结构：CCOC(=O)c1c(C)[nH]c(C=O)c1CCCN1CCN(C)CC1

HCID58779587

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4cccnc4)c32)c1CCCN1CCN(C)CC1

HCID69584082

2-Methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-(2-oxo-4-pyridin-3-yl-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic Acid Ethyl Ester

C30H35N5O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccd725ea48db413780ef1e685f0a5ef8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[c:22]1[c:23]([CH3:39])[nH:24][c:25]([CH:37]=[O:38])[c:26]1[CH2:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]1.[CH2:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][OH:48].[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:37][c:25]2[nH:24][c:23]([CH3:39])[c:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[c:26]2[CH2:27][CH2:28][CH2:29][N:30]2[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]2)[cH:4][cH:5][cH:6]1