HRID1153281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

HCID12795406

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Nc1nc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc2ccccc12

HCID68847285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e5e6acf40344445adb5c10798c7e8d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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