HRID93942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10439

2-Aminopyridine

C5H6N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

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-bc653623553142a392075d2daf8215b5
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].[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[ClH:48].[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]