HRID1542286

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

HCID22135397

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4cncc(C(=O)O)c4)c32)c1C

HCID69584109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47c32531a208479f8420e11bbd706a1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:20]([CH3:21])[N:22]([CH2:23][CH2:24][NH:25][C:26](=[O:27])[c:28]1[c:29]([CH3:36])[nH:30][c:31]([CH:34]=[O:35])[c:32]1[CH3:33])[CH2:37][CH3:38].[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19]3)[c:9]2[CH2:10]1>>[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19]3)[c:9]2[C:10]1=[CH:34][c:31]1[nH:30][c:29]([CH3:36])[c:28]([C:26]([NH:25][CH2:24][CH2:23][N:22]([CH2:20][CH3:21])[CH2:37][CH3:38])=[O:27])[c:32]1[CH3:33]