Sodium ion → 7-(3-(2-Chloro-4-(2,2,2-trifluoroethoxy)phenoxy)propoxy)-chromane-2-carboxylic acid
Reaction equation
[CH:36]([OH:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[c:3]([O:4][CH2:5][CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[O:16][CH:15]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:14][CH2:13]3)[cH:24][cH:25][c:26]([O:28][CH2:29][C:30]([F:31])([F:32])[F:33])[cH:27]1.[Na+:35].[OH-:34]>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[O:16][CH:15]([C:19](=[O:20])[OH:21])[CH2:14][CH2:13]3)[cH:24][cH:25][c:26]([O:28][CH2:29][C:30]([F:31])([F:32])[F:33])[cH:27]1Participants
5
Sources & evidence
- ORD record
- ord-7796979cffbc48888afd432348f44070
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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