Ethyl Acetate → Velpatasvir N-3
Reaction equation
[C:62](=[O:63])([O-:64])[O-:65].[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]([C:16](=[O:17])[O:18][CH2:19][C:20](=[O:21])[c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:41]2)[CH2:27][O:28][c:29]2[cH:30][c:31]4[c:32]([cH:33][c:34]2-3)[CH2:35][CH2:36][CH:37]([Br:40])[C:38]4=[O:39])[N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]1.[CH3:42][O:43][C:44](=[O:45])[NH:46][CH:47]([C:48](=[O:49])[N:50]1[CH:51]([C:56](=[O:57])[OH:58])[CH2:52][CH2:53][CH:54]1[CH3:55])[CH:59]([CH3:60])[CH3:61].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[Cs+:66].[Cs+:67]>>[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]([C:16](=[O:17])[O:18][CH2:19][C:20](=[O:21])[c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:41]2)[CH2:27][O:28][c:29]2[cH:30][c:31]4[c:32]([cH:33][c:34]2-3)[CH2:35][CH2:36][CH:37]([O:58][C:56]([CH:51]2[N:50]([C:48]([CH:47]([NH:46][C:44]([O:43][CH3:42])=[O:45])[CH:59]([CH3:60])[CH3:61])=[O:49])[CH:54]([CH3:55])[CH2:53][CH2:52]2)=[O:57])[C:38]4=[O:39])[N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]1Participants
6
Sources & evidence
- ORD record
- ord-11f187c0a2674df59d10da5832bf7bad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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