HRID314989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COc1ccc(Cc2nnc(C(C)NC(=O)C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc1OC

HCID136017765

N-(1-{3-[(3,4-Dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-2-(1-hydroxyethyl)-5-phenylpentanamide

C27H34N4O5

PRODUCTS

生成物

HCID136017766

2-Acetyl-N-(1-{3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-5-phenylpentanamide

C27H32N4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-955b447a714c4191908fa175bdcdd667
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

[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:7][S:8](=[O:9])[CH3:10].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[OH:11][CH:12]([CH3:13])[CH:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]1[c:21](=[O:37])[nH:22][c:23]([CH2:26][c:27]2[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]2)[n:24][n:25]1)[CH2:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[O:11]=[C:12]([CH3:13])[CH:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]1[c:21](=[O:37])[nH:22][c:23]([CH2:26][c:27]2[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]2)[n:24][n:25]1)[CH2:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1