HRID112941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID8857

Ethyl acetate

C4H8O2

结构：CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C(N)=S)cc21

HCID14536528

未命名化合物

PRODUCTS

生成物

结构：CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C3=NC4CCCCC4N3)cc21

HCID9932543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77314c6f17694a36aebf35c12cd3211a
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

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