Isobutanol → HCID 123438169, compound
Reaction equation
[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:1][CH:2]([CH2:3][OH:4])[CH3:5].[O:6]=[C:7]([O:8][CH2:9][CH3:10])[N:11]=[N:12][C:13]([O:14][CH2:15][CH3:16])=[O:17].[OH:37][c:38]1[cH:39][cH:40][c:41]([CH:44]([CH:45]2[N:46]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:47][CH2:48][CH2:49]2)[NH:57][C:58]([CH:59]([CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)=[O:67])[cH:42][cH:43]1.[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][CH:2]([CH2:3][O:4][c:38]1[cH:39][cH:40][c:41]([CH:44]([CH:45]2[N:46]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:47][CH2:48][CH2:49]2)[NH:57][C:58]([CH:59]([CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)=[O:67])[cH:42][cH:43]1)[CH3:5]Participants
6
Sources & evidence
- ORD record
- ord-cfb40dbb78ed4014a973cc056693ecde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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