Sodium ion → 2,3-Dihydroxypropyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate
Reaction equation
[CH3:39][N:40]([P:41]([N:42]([CH3:43])[CH3:44])([N:45]([CH3:46])[CH3:47])=[O:48])[CH3:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]2)[cH:6][cH:7]1.[I:33][CH2:34][CH:35]([CH2:36][OH:37])[OH:38].[Na+:32].[OH-:31].[OH2:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH2:34][CH:35]([CH2:36][OH:37])[OH:38])[cH:29][cH:30]2)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-e32ed7e429744fa783433a08af6c898d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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