HRID2337235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID151928

5-Methyl-2-(propan-2-yl)cyclohexyl carbonochloridate

C11H19ClO2

HCID3081984

7-Chloro-1-methyl-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one

C16H15ClN2O

PRODUCTS

生成物

结构：CC1CCC(C(C)C)C(OC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2c2ccccc2)C1

HCID68125163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6bbd8e4b49d431893ea51351f74c0ee
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

[CH3:15][N:16]1[C:17](=[O:34])[CH2:18][NH:19][CH:20]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:21]2[c:22]1[cH:23][cH:24][c:25]([Cl:27])[cH:26]2.[CH3:35][C:36](=[O:37])[CH3:38].[CH:1]1([CH3:14])[CH2:2][CH:3]([O:10][C:11](=[O:12])[Cl:13])[CH:4]([CH:7]([CH3:8])[CH3:9])[CH2:5][CH2:6]1>>[CH:1]1([CH3:14])[CH2:2][CH:3]([O:10][C:11](=[O:12])[N:19]2[CH2:18][C:17](=[O:34])[N:16]([CH3:15])[c:22]3[c:21]([cH:26][c:25]([Cl:27])[cH:24][cH:23]3)[CH:20]2[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH:4]([CH:7]([CH3:8])[CH3:9])[CH2:5][CH2:6]1