Benzoic Acid → Benzoic Acid

HRID 700944Notes

Reaction equation

HRID 700944 reaction equation
[C:7](#[N:8])[c:9]1[c:10](-[c:15]2[c:16](=[O:33])[n:17](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:18][c:19](-[c:21]3[n:22][cH:23][cH:24][cH:25][cH:26]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[CH2:1]([C:2]([CH3:3])=[O:4])[CH3:5].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:6].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:7](#[N:8])[c:9]1[c:10](-[c:15]2[c:16](=[O:33])[n:17](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:18][c:19](-[c:21]3[n:22][cH:23][cH:24][cH:25][cH:26]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[O:34]=[C:35]([OH:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1

Participants

7

Reactant 5

HCID 243Benzoic AcidHCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 8028TetrahydrofuranHCID 9924495Perampanel

Product 2

HCID 243Benzoic AcidHCID 9924495Perampanel

Sources & evidence

ORD record
ord-1a6bf0c8848c4a099df1a3d9847d7bec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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