HRID1237081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

结构：O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)Oc1ccc([N+](=O)[O-])cc1

HCID86675769

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1

HCID71208468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18a011afe1554b078691b9f662f6830b
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:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38]([NH:39][CH:40]1[CH2:41][CH2:42][CH:43]([NH2:46])[CH2:44][CH2:45]1)=[O:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:32])[c:7]([CH2:18][NH:19][C:20]([O:21][c:22]3[cH:23][cH:24][c:25]([N+:26]([O-:27])=[O:28])[cH:29][cH:30]3)=[O:31])[cH:8][n:9](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[c:10]2[cH:11]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:32])[c:7]([CH2:18][NH:19][C:20](=[O:31])[NH:46][CH:43]3[CH2:42][CH2:41][CH:40]([NH:39][C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:47])[CH2:45][CH2:44]3)[cH:8][n:9](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[c:10]2[cH:11]1