HRID142113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID2518

3,4-Dihydroxycinnamic acid

C9H8O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID33558

Azide

N3-

结构：OCC1OC(OC2C(CO)OC(Br)C(O)C2O)C(O)C(O)C1O

HCID20485499

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

HCID13643253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d673f74d0ef4c369a30359b708ed030
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][S:52]([CH3:53])=[O:54].[CH:19]1([O:30][CH:31]2[CH:32]([OH:41])[CH:33]([OH:40])[CH:34]([Br:39])[O:35][CH:36]2[CH2:37][OH:38])[CH:20]([OH:21])[CH:22]([OH:23])[CH:24]([OH:25])[CH:26]([CH2:28][OH:29])[O:27]1.[Cl-:1].[N-:43]=[N+:44]=[N-:45].[Na+:42].[OH:2][c:3]1[cH:4][c:5]([CH:10]=[CH:11][C:12]([OH:13])=[O:14])[cH:6][cH:7][c:8]1[OH:9].[S:15]([Cl:16])([Cl:17])=[O:18]>>[CH:19]1([O:30][CH:31]2[CH:32]([OH:41])[CH:33]([OH:40])[CH:34]([N:43]=[N+:44]=[N-:45])[O:35][CH:36]2[CH2:37][OH:38])[CH:20]([OH:21])[CH:22]([OH:23])[CH:24]([OH:25])[CH:26]([CH2:28][OH:29])[O:27]1