HRID1113586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cc1ccc(Cc2nnc(C(C)NC(=O)C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc1

HCID135824730

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(CCCc1ccccc1)C(=O)NC(C)c1nnc(Cc2ccc(C)cc2)[nH]c1=O

HCID135824717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13d4c199c84a442d9c03b14414b4629a
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

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