Methanol → 1-(4-(3-(Cyclopropylmethyl)ureido)benzoyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-2-carboxylic acid
Reaction equation
[CH3:46][OH:47].[CH:1]1([CH2:4][NH:5][C:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[N:14]3[CH:15]([C:37](=[O:38])[O:39][CH3:40])[CH2:16][N:17]([CH2:20][c:21]4[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([C:32]([F:33])([F:34])[F:35])[OH:36])[cH:25][cH:26]4)[CH2:18][CH2:19]3)[cH:41][cH:42]2)=[O:43])[CH2:2][CH2:3]1.[Na+:45].[OH-:44]>>[CH:1]1([CH2:4][NH:5][C:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[N:14]3[CH:15]([C:37](=[O:38])[OH:39])[CH2:16][N:17]([CH2:20][c:21]4[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([C:32]([F:33])([F:34])[F:35])[OH:36])[cH:25][cH:26]4)[CH2:18][CH2:19]3)[cH:41][cH:42]2)=[O:43])[CH2:2][CH2:3]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-ffa861c18c24454faa7f08d5dc141973
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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