Butyric Acid → HCID 178454708, compound
Reaction equation
[C:2]([CH2:3][CH2:4][CH3:5])(=[O:6])[OH:7].[CH2:75]([Cl:76])[Cl:77].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68].[Cl-:1].[O:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]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][c:25]1[cH:26][cH:27][cH:28][cH:29][cH: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])[c:45]1[n:46][c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[cH:53][cH:54]1)[CH2:55][C:56]([NH2:57])=[O:58])=[O:59].[cH:78]1[cH:79][cH:80][n:81][cH:82][cH:83]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][c:25]1[cH:26][cH:27][cH:28][cH:29][cH: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])[c:45]1[n:46][c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[cH:53][cH:54]1)[CH2:55][C:56]([NH2:57])=[O:58])=[O:59]Participants
8
Sources & evidence
- ORD record
- ord-c559d673a3f54b169711534e52beae3c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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