Citric Acid → 3-Benzyloxy-1-isopropyl-4-(4-methoxybenzoyl)-5-phenoxy-1H-pyrazole
Reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][n:11]([CH:25]([CH3:26])[CH3:27])[c:12]([Br:24])[c:13]1[C:14]([c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)=[O:23].[CH3:54][N:55]([CH3:56])[C:57](=[O:58])[CH3:59].[K+:39].[K+:40].[OH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][n:11]([CH:25]([CH3:26])[CH3:27])[c:12]([O:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:13]1[C:14]([c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)=[O:23]Participants
7
Sources & evidence
- ORD record
- ord-eb51fd181c5847118688fdd430fdddc8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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