HRID675170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID139901

4-Hydroxy-3-methylbenzaldehyde

C8H8O2

反应SMILES：Cc1oc(-c2ccccc2)nc1CCOS(C)(=O)=O

HCID10540773

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate

C13H15NO4S

PRODUCTS

产物

反应SMILES：Cc1cc(C=O)ccc1OCCc1nc(-c2ccccc2)oc1C

HCID18003561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a0c540b7a14544feb2b3877da83af656
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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