HRID306563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID22561905

未命名化合物

HCID22561960

4-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrole-2-carbaldehyde

C13H19N3O2

PRODUCTS

产物

HCID69740768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e942d7713c5f4c4dae952c9e74e7f51a
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

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