HRID1574597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID402

Hydrogen sulfide

H2S

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C(=O)N1CCC(CC(=O)OCc2ccccc2)CC1)C(NC(=O)c1ccc(C#N)cc1)c1ccccc1

HCID86753668

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C(=O)N1CCC(CC(=O)OCc2ccccc2)CC1)C(NC(=O)c1ccc(C(=N)N)cc1)c1ccccc1

HCID86753669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16c6072fbca947f2a8f0d21c03fbaa67
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]1[CH2:12][CH2:13][N:14]([C:17]([C:18]([CH:19]([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)=[O:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([CH3:37])[CH3:38])=[O:39])[CH2:15][CH2:16]1)=[O:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[SH2:48].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]1[CH2:12][CH2:13][N:14]([C:17]([C:18]([CH:19]([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([C:28]([NH2:29])=[NH:43])[cH:26][cH:27]2)=[O:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([CH3:37])[CH3:38])=[O:39])[CH2:15][CH2:16]1)=[O:40]