Hexane → HCID 24784533, compound
Reaction equation
[CH3:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[OH:1][CH2:2][C:3]([CH3:4])([CH3:5])[NH:6][c:7]1[s:8][c:9]2[c:10]([n:11]1)-[c:12]1[cH:13][cH:14][c:15]([C:20]#[N:21])[cH:16][c:17]1[CH2:18][CH2:19]2>>[O:1]1[CH2:2][C:3]([CH3:4])([CH3:5])[N:6]([c:7]2[s:8][c:9]3[c:10]([n:11]2)-[c:12]2[cH:13][cH:14][c:15]([C:20]#[N:21])[cH:16][c:17]2[CH2:18][CH2:19]3)[C:29]1=[O:30]Participants
4
Sources & evidence
- ORD record
- ord-4463c61dfe894ae2a143c6246a13c472
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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