3-Methylbutanal → HCID 76587704, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][c:11](-[c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[cH:12][c:13]([NH:15][CH2:16][c:17]2[cH:18][cH:19][c:20]([C:23]#[N:24])[cH:21][cH:22]2)[cH:14]1)=[O:35].[CH:36]([CH2:37][CH:38]([CH3:39])[CH3:40])=[O:41]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][c:11](-[c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[cH:12][c:13]([N:15]([CH2:16][c:17]2[cH:18][cH:19][c:20]([C:23]#[N:24])[cH:21][cH:22]2)[CH2:36][CH2:37][CH:38]([CH3:39])[CH3:40])[cH:14]1)=[O:35]Participants
3
Sources & evidence
- ORD record
- ord-4d4937d021a8449192be9cf942ea43fb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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