HRID1213030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)Nc1ccccc1N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4o3)CCCCC2)C(O)C1

HCID69313006

未命名化合物

PRODUCTS

生成物

HCID10347421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6aa44646c9be4234833fb5c2091cb342
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][S:49]([CH3:50])=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[o:1]1[c:2]([C:10](=[O:11])[NH:12][C:13]2([C:19](=[O:20])[NH:21][CH:22]3[CH:23]([OH:40])[CH2:24][N:25]([c:28]4[c:29]([NH:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:30][cH:31][cH:32][cH:33]4)[CH2:26][CH2:27]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2]([C:10](=[O:11])[NH:12][C:13]2([C:19](=[O:20])[NH:21][CH:22]3[C:23](=[O:40])[CH2:24][N:25]([c:28]4[c:29]([NH:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:30][cH:31][cH:32][cH:33]4)[CH2:26][CH2:27]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2