3-Methylbutanal → HCID 76587709, 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:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[cH:12][c:13]([NH:15][CH2:16][c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:14]1)=[O:41].[CH:42]([CH2:43][CH:44]([CH3:45])[CH3:46])=[O:47]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][c:11](-[c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[cH:12][c:13]([N:15]([CH2:16][c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[CH2:42][CH2:43][CH:44]([CH3:45])[CH3:46])[cH:14]1)=[O:41]Participants
3
Sources & evidence
- ORD record
- ord-ee62060ccc0d44409a3d06c1057f9aff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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