HRID2157176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID33558

Azide

N3-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)NC1(CCc2ccc(CCCCCO)cc2)COC(C)(C)OC1

HCID23655367

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC1(CCc2ccc(CCCCCN=[N+]=[N-])cc2)COC(C)(C)OC1

HCID23655184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-754f22bddda847f0aef30dc265c93c50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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