HRID290329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID333435

未命名化合物

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

HCID19038720

5-Hydroxy-2-methylbenzenesulfonic acid

C7H8O4S

PRODUCTS

生成物

结构：CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1

HCID178446790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-024002cd37294749b58e21040686aefa
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][CH3:13])[C:14](=[O:15])[OH:16].[CH2:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[O:51][C:52]([CH2:53][NH2:54])=[O:55].[CH3:17][N:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1.[Cl:24][C:25]([O:26][CH2:27][CH:28]([CH3:29])[CH3:30])=[O:31].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[c:32]1([CH3:33])[c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][c:40]([OH:41])[cH:42][cH:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][CH3:13])[C:14](=[O:16])[NH:54][CH2:53][C:52]([O:51][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:55]