HRID125122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID20761729

未命名化合物

HCID22561852

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(F)cc4)c32)c(C)c1C(=O)NCCN1CCCC1

HCID24941334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2b04266a5ab4555bc260200b5ee61dc
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

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