HRID1128756

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：CC1CC(c2ccncc2[N+](=O)[O-])=CC(NC(=O)OC(C)(C)C)C1O

HCID67135398

未命名化合物

PRODUCTS

生成物

结构：CC1CC(c2ccncc2[N+](=O)[O-])=CC(NC(=O)OC(C)(C)C)C1OS(C)(=O)=O

HCID72238227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d96e99644c4816aa114feb07be491a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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