HRID162084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7406

Cumene

C9H12

HCID18500

Perhydroxyl radical

HO2-

HCID62333

1,4-Diethyl 2,3-dihydroxybutanedioate

C8H14O6

HCID81531

Diisopropylethylamine

C8H19N

HCID114942

Titanium(4+)

Ti+4

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

HCID1094080

Lansoprazole sulfide

C16H14F3N3OS

HCID3260420

未命名化合物

4 次

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-ebaad57f85394c40be62a51fc105c9c6
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

[C:26](=[O:27])([CH:28]([CH:29]([C:30]([O:31][CH2:32][CH3:33])=[O:34])[OH:35])[OH:36])[O:37][CH2:38][CH3:39].[CH3:1][c:2]1[c:3]([CH2:14][S:15][c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][cH:22][cH:23][cH:24]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[CH3:60][CH:61]([CH3:62])[O-:63].[CH3:65][CH:66]([CH3:67])[O-:68].[CH3:69][CH:70]([CH3:71])[O-:72].[CH3:73][CH:74]([CH3:75])[O-:76].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[O-:49][OH:50].[OH2:25].[Ti+4:64].[c:51]1([CH:52]([CH3:53])[CH3:54])[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH3:1][c:2]1[c:3]([CH2:14][S:15]([c:16]2[nH:17][c:18]3[c:19]([n:20]2)[cH:21][cH:22][cH:23][cH:24]3)=[O:27])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]