HRID687985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID9856340

未命名化合物

HCID22561852

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCNC(=O)c1cc(C)c(C=C2C(=O)Nc3cccc(-c4ccc(F)cc4)c32)[nH]1

HCID24941345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b65a61c79cb49e782ee125155ce10f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:18]([CH3:19])[N:20]([CH2:21][CH2:22][NH:23][C:24](=[O:25])[c:26]1[nH:27][c:28]([CH:32]=[O:33])[c:29]([CH3:31])[cH:30]1)[CH2:34][CH3:35].[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[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>>[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:32][c:28]2[nH:27][c:26]([C:24]([NH:23][CH2:22][CH2:21][N:20]([CH2:18][CH3:19])[CH2:34][CH3:35])=[O:25])[cH:30][c:29]2[CH3:31])[cH:6][cH:7]1