Sodium ion → 2,3-Dihydroxypropyl 2-fluoro-4-(hexadecylamino)benzoate
Reaction equation
[CH3:37][N:38]([P:39]([N:40]([CH3:41])[CH3:42])([N:43]([CH3:44])[CH3:45])=[O:46])[CH3:47].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:10]1.[I:30][CH2:31][CH:32]([CH2:33][OH:34])[OH:35].[Na+:29].[OH-:28].[OH2:36]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:31][CH:32]([CH2:33][OH:34])[OH:35])[cH:7][cH:8][c:9]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-55cfad8e867f426d971642738cf54522
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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