HRID108799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

结构：COc1ccc(-c2ncnc3c(C(=O)O)c[nH]c23)c(OCC2CC2)c1

HCID66866096

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ncnc3c(C(=O)NC4CCC(NC(=O)OC(C)(C)C)CC4)c[nH]c23)c(OCC2CC2)c1

HCID66867313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab64b4baaebd47a895ac9556f6042f48
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

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