HRID311342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6378

(+/-)-1,2-Propylene oxide

C3H6O

HCID8471

Triethylamine

C6H15N

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID259668

1-Bromo-4-phenylbutane

C10H13Br

HCID135778511

未命名化合物

PRODUCTS

生成物

结构：COc1cc([N+](=O)[O-])c2nccc(C)c2c1OCCCCc1ccccc1

HCID563517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-473e27a01d494a79b40afa0b6afa67ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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