HRID1570027

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)OC(=O)COc1ccc(NC(=O)c2cc3cc(C#N)cnc3o2)cc1

HCID10500772

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1ccc(NC(=O)c2cc3cc(C(N)=S)cnc3o2)cc1

HCID10622396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-193130a924244da3a2a12954c4b3cb6b
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:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([n:7][cH:8]1)[o:9][c:10]([C:12](=[O:13])[NH:14][c:15]1[cH:16][cH:17][c:18]([O:19][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29]1)[cH:11]2.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[SH2:30].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]2[c:6]([n:7][cH:8]1)[o:9][c:10]([C:12](=[O:13])[NH:14][c:15]1[cH:16][cH:17][c:18]([O:19][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29]1)[cH:11]2)=[S:30]