HRID1123473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID9878769

未命名化合物

HCID22135454

3-Methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde

C12H17N3O2

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCN(C)CC2)[nH]c1C=C1C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21

HCID69795299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d692cfc7dfff45458ac4db90806333ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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