Ethanol → 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-[1-(2-methanesulfonyl-ethyl)-piperidin-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene
Reaction equation
[CH3:38][OH:39].[CH3:41][CH2:42][OH:43].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[CH:29](=[CH2:30])[S:31](=[O:32])(=[O:33])[CH3:34].[Cl:35][CH2:36][Cl:37].[OH2:40]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([CH2:30][CH2:29][S:31](=[O:32])(=[O:33])[CH3:34])[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-adefefa7f0ef4b998f40440a323d29f0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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