HRID298731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID74233

Indan-4-ol

C9H10O

HCID10540773

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

C13H15NO4S

PRODUCTS

生成物

HCID18003574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c76c124897a0455f8c5dfd55db1da0d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:20]1[CH2:21][CH2:22][c:23]2[c:24]([OH:29])[cH:25][cH:26][cH:27][c:28]21.[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].[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[K+:31].[OH-:30].[OH2:61].[S:32]([O-:33])([OH:34])(=[O:35])=[O:36]>>[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][O:15][c:24]2[c:23]3[c:28]([cH:27][cH:26][cH:25]2)[CH2:20][CH2:21][CH2:22]3)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1