HRID1547832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

反应SMILES：CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)O

HCID290776

N~2~-(tert-Butoxycarbonyl)asparagine

C9H16N2O5

反应SMILES：CC(C)(C)NC(=O)C1CC(Cl)CN1C(=O)C(O)C(N)Cc1ccccc1

HCID178449333

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)NC(=O)C1CC(Cl)CN1C(=O)C(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C

HCID178449330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-da09ea0766c94f8e8ac9181bb3f1a806
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:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][CH:42]([CH2:43][C:44]([NH2:45])=[O:46])[C:47](=[O:48])[OH:49].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[NH2:8][CH:9]([CH:10]([C:11](=[O:12])[N:13]1[CH:14]([C:15](=[O:16])[NH:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][CH:23]([Cl:25])[CH2:24]1)[OH:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[NH:8]([CH:9]([CH:10]([C:11](=[O:12])[N:13]1[CH:14]([C:15](=[O:16])[NH:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][CH:23]([Cl:25])[CH2:24]1)[OH:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[C:47]([CH:42]([NH:41][C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])[CH2:43][C:44]([NH2:45])=[O:46])=[O:48]