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Water → Lansoprazole

HRID 210965
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HRID 210965 반응식
[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[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].[CH3:60][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][CH2:78][O:79][C:80](=[O:81])[CH3:82].[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[n:17][c:18]3[c:19]([nH: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]
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10

반응물 9

HCID 962WaterHCID 7406CumeneHCID 8857Ethyl AcetateHCID 18500Perhydroxyl radicalHCID 62333Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-HCID 81531DiisopropylethylamineHCID 114942Titanium cation (4+)
HCID 1094080
Lansoprazole sulfide
HCID 3260420Isopropanolate4회

생성물 1

HCID 3883Lansoprazole

출처 및 근거

ORD 기록
ord-0469347adbef4f30a238cece4605e5cb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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