Butyric Acid → HCID 178454709, compound
Reaction equation
[C:2]([CH2:3][CH2:4][CH3:5])(=[O:6])[OH:7].[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[Cl-:1].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH:8][CH:9]([CH2:10][N:11]([NH:12][C:13]([CH:14]([NH:15][C:16](=[O:17])[O:18][CH3:19])[CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:24][CH:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1)[CH:31]([CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[NH:39][C:40]([CH:41]([NH:42][C:43](=[O:44])[O:45][CH3:46])[CH:47]([CH3:48])[CH3:49])=[O:50].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1>>[C:2]([CH2:3][CH2:4][CH3:5])(=[O:6])[O:7][CH:9]([CH2:10][N:11]([NH:12][C:13]([CH:14]([NH:15][C:16](=[O:17])[O:18][CH3:19])[CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:24][CH:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1)[CH:31]([CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[NH:39][C:40]([CH:41]([NH:42][C:43](=[O:44])[O:45][CH3:46])[CH:47]([CH3:48])[CH3:49])=[O:50]Participants
8
Sources & evidence
- ORD record
- ord-3929300655d84ddfb22962c9366cce0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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