Acetonitrile → tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-N-[2-[6-[4-(2,2,2-trifluoroacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]hexylsulfanyl]ethyl]carbamate
Reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][S:8][CH2:9][CH2:10][N:11]([C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[CH2:19][CH:20]([c:21]1[cH:22][cH:23][c:24]([OH:31])[c:25]2[nH:26][c:27](=[O:30])[s:28][c:29]12)[OH:32].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][C:65]#[N:66].[F:33][C:34]([F:35])([F:36])[C:37]([OH:38])=[O:39].[F:40][C:41]([C:42](=[O:43])[N:44]1[CH2:45][CH2:46][O:47][C:48]2([CH2:49]1)[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)([F:55])[F:56]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][S:8][CH2:9][CH2:10][N:11]([C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[CH2:19][CH:20]([c:21]1[cH:22][cH:23][c:24]([OH:31])[c:25]2[nH:26][c:27](=[O:30])[s:28][c:29]12)[OH:32])[N:52]1[CH2:51][CH2:50][C:48]2([O:47][CH2:46][CH2:45][N:44]([C:42]([C:41]([F:40])([F:55])[F:56])=[O:43])[CH2:49]2)[CH2:54][CH2:53]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-58d8d1d7c69a4a3580157d40200c25b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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