HRID1232182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CCOC(=O)C(NCCCNC(=O)C(NC(=O)OCc1ccccc1)C(C)O)C(O)C1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O

HCID20759888

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(NCCCNC(=O)C(N)C(C)O)C(O)C1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O

HCID20759886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a87313a465de403ba5a1f12e8a70db55
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

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