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Sodium Ion → Lansoprazole

HRID 113827
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HRID 113827 반응식
[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]
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 923Sodium Ion2회HCID 962WaterHCID 1084Thiosulfate ionHCID 1140TolueneHCID 7406CumeneHCID 18500Perhydroxyl radicalHCID 62333Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-
HCID 81531
Diisopropylethylamine
HCID 114942Titanium cation (4+)
HCID 1094080Lansoprazole sulfide
HCID 3260420Isopropanolate4회

생성물 1

HCID 3883Lansoprazole

출처 및 근거

ORD 기록
ord-33eddf601b2c463982a7caab04876cd2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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