HRID87099

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)NC(=O)c2ccc(C#N)nc2)cc1

HCID23369993

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1ccc(NC(=O)NC(=O)c2ccc(C(N)=S)nc2)cc1

HCID23370042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24169a8573f14988bcc5d4784ee77252
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

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