HRID1223780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11159315

3-amino-2,2-dimethylpropanamide

C5H12N2O

结构：COCOc1ccccc1N1CC(C)(C)N(CC(NC(=O)OCc2ccccc2)C2CC(C(C)C)C(=O)O2)CC1=O

HCID178497637

未命名化合物

HCID178516071

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccccc1N1CC(C)(C)N(CC(NC(=O)OCc2ccccc2)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1=O

HCID178497638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f265961a95914263869adbc0c42ea4e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][C:24]([NH:25][CH:26]([CH2:27][N:28]1[C:29]([CH3:45])([CH3:46])[CH2:30][N:31]([c:35]2[c:36]([O:41][CH2:42][O:43][CH3:44])[cH:37][cH:38][cH:39][cH:40]2)[C:32](=[O:34])[CH2:33]1)[CH:47]1[O:48][C:49](=[O:55])[CH:50]([CH:52]([CH3:53])[CH3:54])[CH2:51]1)=[O:56].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[NH2:1][CH2:2][C:3]([C:4](=[O:5])[NH2:6])([CH3:7])[CH3:8].[OH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][n:15]1>>[NH:1]([CH2:2][C:3]([C:4](=[O:5])[NH2:6])([CH3:7])[CH3:8])[C:49]([CH:50]([CH2:51][CH:47]([CH:26]([NH:25][C:24]([O:23][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:56])[CH2:27][N:28]1[C:29]([CH3:45])([CH3:46])[CH2:30][N:31]([c:35]2[c:36]([O:41][CH2:42][O:43][CH3:44])[cH:37][cH:38][cH:39][cH:40]2)[C:32](=[O:34])[CH2:33]1)[OH:48])[CH:52]([CH3:53])[CH3:54])=[O:55]