HRID113827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

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-33eddf601b2c463982a7caab04876cd2
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

[C:25](=[O:26])([CH:27]([CH:28]([C:29]([O:30][CH2:31][CH3:32])=[O:33])[OH:34])[OH:35])[O:36][CH2:37][CH3:38].[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)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[CH3:66][CH:67]([CH3:68])[O-:69].[CH3:71][CH:72]([CH3:73])[O-:74].[CH3:75][CH:76]([CH3:77])[O-:78].[CH3:79][CH:80]([CH3:81])[O-:82].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Na+:64].[Na+:65].[O-:48][OH:49].[OH2:83].[S:59]([O-:60])([O-:61])(=[O:62])=[S:63].[Ti+4:70].[c:50]1([CH:51]([CH3:52])[CH3:53])[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[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)=[O:26])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]