HRID112426

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

结构：CC1(C)CC(Oc2nc(Cl)nc(N3C(C)(C)CCCC3(C)C)n2)CC(C)(C)N1O

HCID19991796

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(O)C(C)(C)C3)nc(N3C(C)(C)CCCC3(C)C)n2)CC1(C)C

HCID19991782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c686c15cae8c4f8aa003d7c352687ce4
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

[C:32](=[O:33])([O-:34])[O-:35].[C:38]([CH3:39])(=[O:40])[N:41]1[C:42]([CH3:50])([CH3:51])[CH2:43][CH:44]([OH:49])[CH2:45][C:46]1([CH3:47])[CH3:48].[CH2:64]([N+:65]([CH2:66][CH2:67][CH2:68][CH3:69])([CH2:70][CH2:71][CH2:72][CH3:73])[CH2:74][CH2:75][CH2:76][CH3:77])[CH2:78][CH2:79][CH3:80].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:1][c:2]1[n:3][c:4]([N:20]2[C:21]([CH3:28])([CH3:29])[CH2:22][CH2:23][CH2:24][C:25]2([CH3:26])[CH3:27])[n:5][c:6]([O:8][CH:9]2[CH2:10][C:11]([CH3:18])([CH3:19])[N:12]([OH:17])[C:13]([CH3:15])([CH3:16])[CH2:14]2)[n:7]1.[K+:31].[K+:36].[K+:37].[OH-:30].[OH2:81].[S:59]([O-:60])([OH:61])(=[O:62])=[O:63]>>[c:2]1([O:49][CH:44]2[CH2:43][C:42]([CH3:50])([CH3:51])[N:41]([C:38]([CH3:39])=[O:40])[C:46]([CH3:47])([CH3:48])[CH2:45]2)[n:3][c:4]([N:20]2[C:21]([CH3:28])([CH3:29])[CH2:22][CH2:23][CH2:24][C:25]2([CH3:26])[CH3:27])[n:5][c:6]([O:8][CH:9]2[CH2:10][C:11]([CH3:18])([CH3:19])[N:12]([OH:17])[C:13]([CH3:15])([CH3:16])[CH2:14]2)[n:7]1