HRID1139061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1995

N-Acetylleucine

C8H15NO3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID178507442

未命名化合物

PRODUCTS

生成物

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

HCID178474741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fa7a928035a4fb3b6d0b2935d763c11
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

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