4-Phenylbutyric Acid → HCID 10200608, compound
Reaction equation
[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([C:18]([CH:19]([CH2:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[OH:28])=[O:29])[CH2:16][CH2:17]2)=[O:30])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[OH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH:50]([CH2:51][CH3:52])[C:53]([OH:54])=[O:55].[c:31]1([CH2:32][CH2:33][CH2:34][C:35]([OH:36])=[O:37])[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([C:18]([CH2:19][CH2:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:29])[CH2:16][CH2:17]2)=[O:30])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-f267e67f9ec04f84a1f37da2a146ec97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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