HRID310514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID20761785

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

C14H23N3O2

HCID22561798

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4cccc(Cl)c4)c32)c1C

HCID24941318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-670b8c0dacd2400fae6543be126000db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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