Acetone → HCID 12795081, compound
Reaction equation
[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][C:40]([CH3:41])=[O:42].[CH3:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].[CH3:9][S:10]([O:11][CH2:14][CH2:15][CH2:16][CH2:17][n:18]1[c:19]([CH2:23][C:24]#[N:25])[cH:20][cH:21][cH:22]1)(=[O:12])=[O:13].[Cl-:27].[H-:1].[Na+:26].[Na+:2]>>[CH2:14]1[CH2:15][CH2:16][CH2:17][n:18]2[c:19]([cH:20][cH:21][cH:22]2)[CH:23]1[C:24]#[N:25]Participants
8
Sources & evidence
- ORD record
- ord-47ea4c428f584eb3ab91da19217dc738
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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