HRID1568945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：COc1cc(-c2ccccc2)cc2ncc(-c3csc(C(=O)O)c3)n12

HCID58404685

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccccc2)cc2ncc(-c3csc(C(=O)NC4CCCCC4N)c3)n12

HCID68273395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd8037455e3948bcb7b1810f3c702bb8
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:26]([n:27]1[cH:28][cH:29][n:30][cH:31]1)([n:32]1[cH:33][cH:34][n:35][cH:36]1)=[O:37].[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6][c:7]2[n:8]1[c:9](-[c:12]1[cH:13][c:14]([C:17](=[O:18])[OH:19])[s:15][cH:16]1)[cH:10][n:11]2.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH:38]1([NH2:45])[CH:39]([NH2:44])[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6][c:7]2[n:8]1[c:9](-[c:12]1[cH:13][c:14]([C:17](=[O:19])[NH:45][CH:38]3[CH:39]([NH2:44])[CH2:40][CH2:41][CH2:42][CH2:43]3)[s:15][cH:16]1)[cH:10][n:11]2