Toluene → 3-[[4-Carboxy-1-(4-ethoxycarbonylpiperazin-1-yl)-1-oxobutan-2-yl]carbamoyl]-1-phenylpyrazole-5-carboxylic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:29]([C:31](=[O:32])[OH:33])[cH:30]2)=[O:40])[CH2:10][CH2:11]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:48][CH2:49][Cl:50].[F:51][C:52]([F:53])([F:54])[C:55]([OH:56])=[O:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[OH:18])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:29]([C:31](=[O:32])[OH:33])[cH:30]2)=[O:40])[CH2:10][CH2:11]1Participants
5
Sources & evidence
- ORD record
- ord-76a92c29d76d4c1ab8ed1506c28a71ef
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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