HRID2152366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C(=Cc1ccc(NC(=O)OC(C)(C)C)c(C)c1COC(C)=O)NC(=O)OCc1ccccc1

HCID53415138

Methyl 3-{2-[(acetyloxy)methyl]-4-[(tert-butoxycarbonyl)amino]-3-methylphenyl}-2-{[(benzyloxy)carbonyl]amino}prop-2-enoate

C27H32N2O8

结构：CCOC(=O)CC(C(=O)OCC)C(COC(C)=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1

HCID178471741

未命名化合物

PRODUCTS

生成物

HCID67318896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32df4d73ef6f4422819f46f56b8b52cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:38]([O:39][C:40](=[O:41])[CH:42]([CH:43]([CH2:44][O:45][C:46](=[O:47])[CH3:48])[c:49]1[cH:50][cH:51][c:52]([NH:53][C:54]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[c:61]([CH3:62])[cH:63]1)[CH2:64][C:65]([O:66][CH2:67][CH3:68])=[O:69])[CH3:70].[CH3:1][O:2][C:3]([C:4](=[CH:5][c:6]1[c:7]([CH2:21][O:22][C:23]([CH3:24])=[O:25])[c:8]([CH3:20])[c:9]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:10][cH:11]1)[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:37].[CH3:71][OH:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([CH2:21][O:22][C:23]([CH3:24])=[O:25])[c:8]([CH3:20])[c:9]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:10][cH:11]1)[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:37]