HRID1558772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID261

Butanal

C4H8O

反应SMILES：COC(=O)C(CCSC)NC(=O)c1ccc(CNCCN2CCCCC2)cc1-c1ccccc1C

HCID18361421

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCN(CCN1CCCCC1)Cc1ccc(C(=O)NC(CCSC)C(=O)OC)c(-c2ccccc2C)c1

HCID20699804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5bfc06b2969b4c5f8f33f07c2267ab6c
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

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