HRID2336089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID253304

dimethyl 3-aminopentanedioate

C7H13NO4

HCID69951056

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(CC(=O)OC)NC(=O)CCC(=O)Nc1ccc(C=NN)cc1

HCID70062382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-606d60cf4227407d84bed0d62b22f05f
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

[CH3:19][N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[CH3:34][O:35][C:36]([CH2:37][CH:38]([CH2:39][C:40](=[O:41])[O:42][CH3:43])[NH2:44])=[O:45].[CH3:46][N:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][n:53]1)[CH3:54].[Cl:26][C:27]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])=[O:33].[ClH:1].[NH2:2][N:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH2:13][CH2:14][C:15](=[O:16])[OH:17])=[O:18])[cH:9][cH:10]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[NH2:2][N:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH2:13][CH2:14][C:15](=[O:17])[NH:44][CH:38]([CH2:37][C:36]([O:35][CH3:34])=[O:45])[CH2:39][C:40](=[O:41])[O:42][CH3:43])=[O:18])[cH:9][cH:10]1