Benzoic Acid → HCID 178468782, compound
Reaction equation
[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[F:1][c:2]1[c:3]([C:9]2([CH:12]([CH3:13])[OH:14])[O:10][CH2:11]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O:43]=[C:44]([O:45][CH2:46][CH3:47])[N:48]=[N:49][C:50]([O:51][CH2:52][CH3:53])=[O:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:60].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[c:15]1([P:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[F:1][c:2]1[c:3]([C:9]2([CH:12]([CH3:13])[O:14][C:35](=[O:34])[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[O:10][CH2:11]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-d16c6ccc0ecb4c9d9b2c55af171d5801
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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