HRID2315291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

结构：CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CC(O)c1nc(C(=O)NC)cs1)C(C)C

HCID66839641

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CC(OC(C)=O)c1nc(C(=O)NC)cs1)C(C)C

HCID66839688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e42c4f2199ee4690a5b40ea9dc7f754a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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