HRID119590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

2 次

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID19067136

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OCc2ccccc2)CCC1OCC(=O)OC(C)(C)C

HCID19067200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8d8d50aada0434485bc38cc6f28f03b
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

[Br:19][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([CH3:18])[CH:14]([OH:17])[CH2:15][CH2:16]1.[CH2:33]([N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH2:50]([N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Na+:68].[OH-:67].[OH2:76].[S:28]([O-:29])([O-:30])(=[O:31])=[O:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([CH3:18])[CH:14]([O:17][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:15][CH2:16]1