Phenylacetic Acid → HCID 59371317, compound
Reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][CH:21]([CH2:24][CH2:25][OH:26])[CH2:22][CH2:23]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[CH:27]1([N:28]=[C:29]=[N:30][CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Cl:42][CH2:43][Cl:44].[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[O:1]=[C:2]([O:3][CH2:25][CH2:24][CH:21]1[CH2:20][CH2:19][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22]1)[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-9437b6794ccf4e9fb830d3c0c42532e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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