HRID1212047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID980

4-Nitrophenol

C6H5NO3

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

2 次

HCID16993

1,2-Epoxydecane

C10H20O

HCID5360545

Sodium

PRODUCTS

生成物

HCID22237769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-207352814bfc4baf9520bd866666d415
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:17]([N+:18]([CH2:19][CH2:20][CH2:21][CH3:22])([CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH3:33].[CH2:34]([N+:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Na:1].[O:51]1[CH2:52][CH:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[OH2:62].[OH:2][c:3]1[cH:4][cH:5][c:6]([N+:9]([O-:10])=[O:11])[cH:7][cH:8]1.[S:12]([O-:13])([O-:14])(=[O:15])=[O:16]>>[O:2]([c:3]1[cH:4][cH:5][c:6]([N+:9]([O-:10])=[O:11])[cH:7][cH:8]1)[CH2:52][CH:53]([OH:51])[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61]