HRID96358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10439

2-Aminopyridine

C5H6N2

HCID73026

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

C7H5N3O2

结构：COC(=O)C(CCSC)NC(=O)c1ccc(CC(=O)O)cc1-c1ccccc1

HCID178500608

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(CC(=O)Nc2ccccn2)cc1-c1ccccc1

HCID178500607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-847ede6022e1467e85d326514a7b990f
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

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:9][c:10]([CH2:13][C:14](=[O:15])[OH:16])[cH:11][cH:12]1)=[O:23])[CH2:24][CH2:25][S:26][CH3:27])=[O:28].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[NH2:41][c:42]1[n:43][cH:44][cH:45][cH:46][cH:47]1.[OH:29][n:30]1[c:31](=[O:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:9][c:10]([CH2:13][C:14](=[O:15])[NH:41][c:42]2[n:43][cH:44][cH:45][cH:46][cH:47]2)[cH:11][cH:12]1)=[O:23])[CH2:24][CH2:25][S:26][CH3:27])=[O:28]