Ethanol → 2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-[1-(2-methanesulfonyl-ethyl)-azetidin-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene
Reaction equation
[CH3:28][CH2:29][OH:30].[CH:31](=[CH2:32])[S:33](=[O:34])(=[O:35])[CH3:36].[NH:1]1[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:26][cH:27]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:23]([CH3:24])[CH3:25])[n:19][c:20]([CH3:22])[n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1>>[N:1]1([CH2:32][CH2:31][S:33](=[O:34])(=[O:35])[CH3:36])[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:26][cH:27]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:23]([CH3:24])[CH3:25])[n:19][c:20]([CH3:22])[n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-bad2b94cd8ea46b8be7541a09659176f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…