HRID187867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6410

tert-Butyl hydroperoxide

C4H10O2

HCID7406

Cumene

C9H12

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID18500

Perhydroxyl radical

HO2-

结构：COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2n1

HCID9840489

5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-b]pyridine

C16H18N4O2S

HCID19357388

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1

HCID636411

Tenatoprazole

C16H18N4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21e4672ba9c04b74bba84368b8fee17c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:35]([CH3:37])([CH3:38])([O:39][OH:36])[CH3:40].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8]1)[n:9][c:10]([S:12][CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:23])[c:18]([O:21][CH3:22])[c:19]1[CH3:20])[nH:11]2.[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[NH2:41][C:42]1([OH:43])[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[CH2:50][CH2:51]1.[O-:24][OH:25].[c:26]1([CH:27]([CH3:28])[CH3:29])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8]1)[n:9][c:10]([S:12]([CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:23])[c:18]([O:21][CH3:22])[c:19]1[CH3:20])=[O:39])[nH:11]2