Trifluoroacetic acid → 3-[(1-Amino-3-cyclohexylpropan-2-yl)amino]-4-[3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione
Reaction equation
[CH:1]1([CH2:7][CH:8]([CH2:9][NH:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][c:19]2[c:20]([N:25]3[CH2:26][CH:27]([CH:31]([O:32][CH2:33][CH2:34][CH2:35][O:36][CH3:37])[c:38]4[c:39]([F:44])[cH:40][cH:41][cH:42][cH:43]4)[CH2:28][CH2:29][CH2:30]3)[c:21](=[O:24])[c:22]2=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[CH:1]1([CH2:7][CH:8]([CH2:9][NH2:10])[NH:18][c:19]2[c:20]([N:25]3[CH2:26][CH:27]([CH:31]([O:32][CH2:33][CH2:34][CH2:35][O:36][CH3:37])[c:38]4[c:39]([F:44])[cH:40][cH:41][cH:42][cH:43]4)[CH2:28][CH2:29][CH2:30]3)[c:21](=[O:24])[c:22]2=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
3
Sources & evidence
- ORD record
- ord-999b662b77a54681b46ca8f5c2d02dba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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