Citric Acid → 4-(2-{2-[(3,5-Bis-trifluoromethyl-benzyl)-ethyl-amino]-5-trifluoromethyl-benzylamino}-pyrimidin-5-yloxy)-butyric acid
Reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[c:9]([CH2:10][NH:11][c:12]3[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:16][n:17]3)[cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[CH2:37][CH3:38])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[Na+:52].[O:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[OH:53][C:54]([CH2:55][C:56]([C:57](=[O:58])[OH:59])([CH2:60][C:61](=[O:62])[OH:63])[OH:64])=[O:65]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[c:9]([CH2:10][NH:11][c:12]3[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[OH:24])[cH:16][n:17]3)[cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[CH2:37][CH3:38])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3d3c7d0ae85e4a7fa443aded16ee51ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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