HRID93541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID166653

Hydride

H-

结构：Cc1ccc(C(=O)OCC2OC(Cl)CC2OC(=O)c2ccc(C)cc2)cc1

HCID288128

2-Deoxy-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl chloride

C21H21ClO5

HCID23143997

3-Iodo-5-nitro-1H-indole

C8H5IN2O2

PRODUCTS

生成物

结构：Cc1ccc(C(=O)OCC2OC(n3cc(I)c4cc([N+](=O)[O-])ccc43)CC2OC(=O)c2ccc(C)cc2)cc1

HCID23143999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c9d4ddb30154dda9fece7e9ed4bd598
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:43][C:44]#[N:45].[Cl:16][CH:17]1[CH2:18][CH:19]([O:33][C:34]([c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)=[O:42])[CH:20]([CH2:22][O:23][C:24]([c:25]2[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]2)=[O:32])[O:21]1.[H-:14].[I:1][c:2]1[cH:3][nH:4][c:5]2[cH:6][cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][c:10]12.[Na+:15]>>[I:1][c:2]1[cH:3][n:4]([CH:17]2[CH2:18][CH:19]([O:33][C:34]([c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)=[O:42])[CH:20]([CH2:22][O:23][C:24]([c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)=[O:32])[O:21]2)[c:5]2[cH:6][cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][c:10]12