HRID1555539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(NC(=O)c2ccc(-n3ccccc3=O)cc2)C1

HCID69145204

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(NC(=O)OCc2ccccc2)C(NC(=O)c2ccc(-n3ccccc3=O)cc2)C1

HCID69444657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7a655ac56e0447d921a5e303fb95f6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH:10]([NH:25][C:26]([c:27]2[cH:28][cH:29][c:30](-[n:33]3[c:34](=[O:39])[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)=[O:40])[CH:11]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[C:59]([OH:60])(=[O:61])[CH3:62].[CH2:46]=[O:47].[CH3:44][OH:45].[CH3:56][C:57]#[N:58].[Cl:41][CH2:42][Cl:43].[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54].[OH2:55]>>[CH3:6][N:8]1[CH2:9][CH:10]([NH:25][C:26]([c:27]2[cH:28][cH:29][c:30](-[n:33]3[c:34](=[O:39])[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)=[O:40])[CH:11]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1