Isobutyric Acid → HCID 178465905, compound
Reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:43][CH:44]([CH3:45])[C:46]([OH:47])=[O:48].[O:49]=[C:50]([O:51][CH:52]([CH3:53])[CH3:54])[N:55]=[N:56][C:57]([O:58][CH:59]([CH3:60])[CH3:61])=[O:62].[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[O:14])[C:15]4([CH3:23])[CH2:16][CH2:17][CH:18]3[C:19]2([CH3:22])[CH2:20][CH2:21]1.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[O:1]([CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[O:14])[C:15]4([CH3:23])[CH2:16][CH2:17][CH:18]3[C:19]2([CH3:22])[CH2:20][CH2:21]1)[C:46]([CH:44]([CH3:43])[CH3:45])=[O:47]Participants
6
Sources & evidence
- ORD record
- ord-d0a49d3dec2b4e4f96baeff6ff3c8b33
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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