HRID672536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID31374

Dimethylacetamide

C4H9NO

HCID33558

Azide

N3-

HCID68927308

未命名化合物

PRODUCTS

生成物

结构：C=C(CCN=[N+]=[N-])CN(c1ccc(Cl)cc1I)S(C)(=O)=O

HCID86627362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0b03e252f784dfbab5089d1e170ba76
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:39]([Br:40])([Br:41])([Br:42])[Br:43].[CH3:48][C:49]([N:50]([CH3:51])[CH3:52])=[O:53].[Cl:1][c:2]1[cH:3][c:4]([I:19])[c:5]([N:8]([S:9](=[O:10])(=[O:11])[CH3:12])[CH2:13][C:14]([CH2:15][CH2:16][OH:17])=[CH2:18])[cH:6][cH:7]1.[N-:45]=[N+:46]=[N-:47].[Na+:44].[OH2:54].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[Cl:1][c:2]1[cH:3][c:4]([I:19])[c:5]([N:8]([S:9](=[O:10])(=[O:11])[CH3:12])[CH2:13][C:14]([CH2:15][CH2:16][N:45]=[N+:46]=[N-:47])=[CH2:18])[cH:6][cH:7]1