HRID2314377

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

HCID22135418

(5-Formyl-2,4-dimethyl-1H-pyrrol-3-yl)acetic acid

C9H11NO3

PRODUCTS

生成物

结构：Cc1[nH]c(C=C2C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CC(=O)O

HCID69797002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05e00ee7265c4c338032875be24339ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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