HRID1556374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID227752

N-Acetylvaline

C7H13NO3

HCID178507442

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(C(=O)Nc1ccc(-c2ncc(C(=O)O)c(O)n2)cc1)C(C)C

HCID178474894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed1ea3fc754241a5ab725fa4168861b9
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

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