HRID687710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(CC(C)O)c(C(=NNC(C)=O)c2ccc([N+](=O)[O-])cc2)c1NC(C)=O

HCID86584473

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(C)OS(C)(=O)=O)c(C(=NNC(C)=O)c2ccc([N+](=O)[O-])cc2)c1NC(C)=O

HCID86584474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9aed8142496941beb131198a695bc9cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][N:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]1)[c:16]1[c:17]([NH:28][C:29]([CH3:30])=[O:31])[c:18]([O:26][CH3:27])[cH:19][cH:20][c:21]1[CH2:22][CH:23]([CH3:24])[OH:25].[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:39][S:40]([Cl:41])(=[O:42])=[O:43].[Cl:45][CH2:46][Cl:47].[OH2:44]>>[C:1]([CH3:2])(=[O:3])[NH:4][N:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]1)[c:16]1[c:17]([NH:28][C:29]([CH3:30])=[O:31])[c:18]([O:26][CH3:27])[cH:19][cH:20][c:21]1[CH2:22][CH:23]([CH3:24])[O:25][S:40]([CH3:39])(=[O:42])=[O:43]