HRID1540064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID1512520

3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid

C10H13NO3

HCID9878769

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c(C=C2C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)O

HCID69799907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c29d5662c2164d3ba9ec287faf5e87d5
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

[CH2:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:40][CH2:41][OH:42].[CH:20](=[O:21])[c:22]1[c:23]([CH3:33])[c:24]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[c:25]([CH3:27])[nH:26]1.[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:20][c:22]2[c:23]([CH3:33])[c:24]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[c:25]([CH3:27])[nH:26]2)[cH:5][cH:6][c:7]1[F:8]