HRID148031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

7 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID1176

Urea

CH4N2O

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2[nH]1

HCID1094080

Lansoprazole sulfide

C16H14F3N3OS

PRODUCTS

生成物

结构：Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1

HCID3883

Lansoprazole

C16H14F3N3O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b65e91e33c64a15874f016c035e8922
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:2][c:3]1[c:4]([CH2:15][S:16][c:17]2[n:18][c:19]3[c:20]([nH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[n:5][cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]([F:12])([F:13])[F:14].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[NH2:26][C:27](=[O:28])[NH2:29].[Na+:49].[Na+:50].[OH2:1].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:58].[OH:30][OH:31].[S:44]([O-:45])([O-:46])(=[O:47])=[S:48]>>[CH3:2][c:3]1[c:4]([CH2:15][S:16]([c:17]2[nH:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][cH:24][cH:25]3)=[O:28])[n:5][cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]([F:12])([F:13])[F:14]