Acetone → 2-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-2-methyl-propionitrile
Reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:30][C:31]([CH3:32])=[O:33].[NH:1]1[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:25][cH:26]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:22]([CH3:23])[CH3:24])[n:19][cH:20][n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1.[Na:27][C:28]#[N:29].[OH2:39]>>[N:1]1([C:31]([C:28]#[N:29])([CH3:30])[CH3:32])[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:25][cH:26]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:22]([CH3:23])[CH3:24])[n:19][cH:20][n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-795d023addfc4780aaad1e12964fd84e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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