HRID154717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID943

Nitrate

NO3-

5 次

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID119438

Cerium(4+)

Ce+4

结构：Cc1c(C)n(CC2CC2C)c2c(OCc3ccc(F)cc3)nncc12

HCID4672916

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(C)n(CC2CC2C)c2c(OCc3ccc(F)cc3)nncc12

HCID10157649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-747e8f50f16447568773f1c3edcd825b
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

[CH3:49][C:50]([OH:51])=[O:52].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Ce+4:30].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10][cH:11][c:12]3[c:13]2[n:14]([CH2:19][CH:20]2[CH:21]([CH3:23])[CH2:22]2)[c:15]([CH3:18])[c:16]3[CH3:17])[cH:24][cH:25]1.[N+:26]([O-:27])([O-:28])=[O:29].[N+:32]([O-:33])([O-:34])=[O:35].[N+:36]([O-:37])([O-:38])=[O:39].[N+:40]([O-:41])([O-:42])=[O:43].[N+:44]([O-:45])([O-:46])=[O:47].[NH4+:31].[OH2:48]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10][cH:11][c:12]3[c:13]2[n:14]([CH2:19][CH:20]2[CH:21]([CH3:23])[CH2:22]2)[c:15]([CH3:18])[c:16]3[CH2:17][O:52][C:50]([CH3:49])=[O:51])[cH:24][cH:25]1