HRID147948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID3731012

5-fluoro-1,3-dihydro-2H-indol-2-one

C8H6FNO

结构：CCN(CC)CCN1CCCCc2[nH]c(C=O)c(C)c2C1=O

HCID49840466

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCN1CCCCc2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O

HCID68527759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa2c6a1f5835429b9dab0875f0e20f8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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