HRID116810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81409

1H-Indole-2-carboxylic acid, 7-nitro-

C9H6N2O4

HCID66974332

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CSCC(COC(=O)C(C)(C)C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1

HCID72321894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7920f4245e894d44ab9be247a797d5dc
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:51](=[O:52])([OH:53])[O-:54].[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][c:10]([C:13](=[O:14])[OH:15])[nH:11][c:12]12.[NH2:16][CH:17]([CH2:18][O:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][S:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]1.[Na+:55].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][c:10]([C:13](=[O:15])[NH:16][CH:17]([CH2:18][O:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][S:27][CH2:28][c:29]3[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[nH:11][c:12]12