HRID672453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID246565

Z-DL-asparagine

C12H14N2O5

结构：CC(C)(C)OC(=O)C1CCCN1CC(O)C(Cc1ccc(F)cc1)NC(=O)OCc1ccccc1

HCID178450717

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCCN1CC(O)C(Cc1ccc(F)cc1)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1

HCID178450716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3940493da424c18b34b06509aa97482
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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