HRID1137405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1

HCID15601612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eac5d8414f604ff7b871829bd0a2ec40
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])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[OH:19].[CH2:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[O:53][C:54]([CH2:55][NH2:56])=[O:57].[CH3:20][N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[Cl:27][C:28]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])=[O:34].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:19])[NH:56][CH2:55][C:54]([O:53][CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)=[O:57]