HRID172197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：COC(=O)C1CC(O)CN1c1ccccc1[N+](=O)[O-]

HCID20651268

未命名化合物

PRODUCTS

生成物

HCID18069746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f43417a2c7d440a895347510fbab8422
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]1[N:5]([c:10]2[c:11]([N+:16](=[O:17])[O-:18])[cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH:7]([OH:9])[CH2:8]1)=[O:19].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:63][C:64](=[O:65])[OH:66].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[ClH:55].[Na+:54].[O:39]=[C:40]([O:41][CH:42]([CH3:43])[CH3:44])[N:45]=[N:46][C:47]([O:48][CH:49]([CH3:50])[CH3:51])=[O:52].[OH-:53].[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>>[O:2]=[C:3]([CH:4]1[N:5]([c:10]2[c:11]([N+:16](=[O:17])[O-:18])[cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH:7]([OH:9])[CH2:8]1)[OH:19]