HRID296540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6558

Isobutylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID2821350

2-{[2-(Benzenesulfonyl)ethyl]sulfanyl}pyridine-3-carboxylic acid

C14H13NO4S2

PRODUCTS

生成物

结构：CC(C)CNC(=O)c1cccnc1SCCS(=O)(=O)c1ccccc1

HCID68745486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f329c96b776d4628ba66d602cfbf21d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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