HRID1568114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID33558

Azide

N3-

结构：CCc1ccc(Cc2cc3c(cc2Cl)COC32OC(COS(=O)(=O)c3ccc(C)cc3)C(O)C(O)C2O)cc1

HCID178436129

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(Cc2cc3c(cc2Cl)COC32OC(CN=[N+]=[N-])C(O)C(O)C2O)cc1

HCID178436128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d468bfb2b5f7455d805a1eb75f259ab0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:51]([N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH:14]([OH:39])[CH:15]([OH:38])[CH:16]([OH:37])[C:17]3([O:18][CH2:19][c:20]4[cH:21][c:22]([Cl:35])[c:23]([CH2:26][c:27]5[cH:28][cH:29][c:30]([CH2:33][CH3:34])[cH:31][cH:32]5)[cH:24][c:25]43)[O:36]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[I-:50].[N-:41]=[N+:42]=[N-:43].[Na+:40].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44]>>[CH2:12]([CH:13]1[CH:14]([OH:39])[CH:15]([OH:38])[CH:16]([OH:37])[C:17]2([O:18][CH2:19][c:20]3[cH:21][c:22]([Cl:35])[c:23]([CH2:26][c:27]4[cH:28][cH:29][c:30]([CH2:33][CH3:34])[cH:31][cH:32]4)[cH:24][c:25]32)[O:36]1)[N:41]=[N+:42]=[N-:43]