查数据/反应详情

HRID116292

反应详情

EQUATION

反应方程式

HRID 116292 的结构方程式

REACTANTS

反应物

2

结构：CCO

Ethanol

C2H6O

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

Lansoprazole

C16H14F3N3O2S

PRODUCTS

生成物

1

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

Lansoprazole sulfide

C16H14F3N3OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d7e9ed720c549a693a8ecb592ade480
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

[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][n:12][c:13]1[CH2:14][S:15](=[O:16])[c:17]1[n:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[nH:25]1.[CH3:26][CH2:27][OH:28]>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][n:12][c:13]1[CH2:14][S:15][c:17]1[nH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25]1

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