HRID2323629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID61778

Bisulfate anion

HO4S-

HCID14549312

1-(4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethan-1-one

C11H21NO2

HCID19991766

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C(C)(C)CC(Oc2nc(Cl)nc(N3C(C)(C)CCCC3(C)C)n2)CC1(C)C

HCID19991778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c87a5b59ce94902a847eb251f455c5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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