HRID96521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID177

Acetaldehyde

C2H4O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

结构：COC(=O)c1nc2n(c(=O)c1O)CCN(C(=O)OC(C)(C)C)CC2N(C)Cc1ccccc1

HCID67317372

未命名化合物

PRODUCTS

生成物

结构：CCN1CCn2c(nc(C(=O)OC)c(O)c2=O)C(N(C)Cc2ccccc2)C1

HCID67316768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d04b9540d42649b688dec871f7c93b10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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