Water → Tert-butyl 2-[4-[3-[[2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]acetate
Reaction equation
[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[F-:62].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([CH2:18][S:19][CH:20]([CH:21]([NH:22][c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:30]3[cH:31][cH:32][c:33]([O:34][CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44]3)[C:45]([N:46]3[CH:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[CH2:54][O:55][C:56]3=[O:57])=[O:58])[O:11][CH2:12][C:13]([CH3:16])([CH3:17])[CH2:14][O:15]1)[cH:9]2.[OH2:59].[OH2:60].[OH2:61]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([CH2:18][S:19][CH:20]3[CH:21]([c:30]4[cH:31][cH:32][c:33]([O:34][CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44]4)[N:22]([c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[C:45]3=[O:58])[O:11][CH2:12][C:13]([CH3:16])([CH3:17])[CH2:14][O:15]1)[cH:9]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-9999d6b8d2394cbd80d4e5724e9a1726
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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