Water → Lansoprazole

HRID 103703

Reaction equation

HRID 103703 reaction equation
[C:2](=[O:3])([CH:4]([CH:5]([C:6]([O:7][CH2:8][CH3:9])=[O:10])[OH:11])[OH:12])[O:13][CH2:14][CH3:15].[CH3:16][c:17]1[c:18]([CH2:29][S:30][c:31]2[n:32][c:33]3[c:34]([nH:35]2)[cH:36][cH:37][cH:38][cH:39]3)[n:19][cH:20][cH:21][c:22]1[O:23][CH2:24][C:25]([F:26])([F:27])[F:28].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH:68]([CH3:69])[O-:70].[CH3:72][CH:73]([CH3:74])[O-:75].[CH3:76][CH:77]([CH3:78])[O-:79].[CH3:80][CH:81]([CH3:82])[O-:83].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[O-:49][OH:50].[OH2:1].[Ti+4:71].[c:51]1([CH:52]([CH3:53])[CH3:54])[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[O:3]=[S:30]([CH2:29][c:18]1[c:17]([CH3:16])[c:22]([O:23][CH2:24][C:25]([F:26])([F:27])[F:28])[cH:21][cH:20][n:19]1)[c:31]1[nH:32][c:33]2[c:34]([n:35]1)[cH:36][cH:37][cH:38][cH:39]2

Participants

10

Reactant 9

HCID 962WaterHCID 1140TolueneHCID 7406CumeneHCID 18500Perhydroxyl radicalHCID 62333Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-HCID 81531DiisopropylethylamineHCID 114942Titanium cation (4+)HCID 1094080Lansoprazole sulfideHCID 3260420Isopropanolate4×

Product 1

HCID 3883Lansoprazole

Sources & evidence

ORD record
ord-2951dbe2007b40f897d09c527d674581
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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