Sodium ion → HCID 22664389, compound
Reaction equation
[CH2:61]([C:62]([CH3:63])=[O:64])[CH3:65].[CH3:3][CH:4]([OH:5])[CH2:6][CH3:7].[Cl:47][C:48]1=[C:55]([Cl:56])[C:53](=[O:54])[c:52]2[c:51]([cH:60][cH:59][cH:58][cH:57]2)[C:49]1=[O:50].[F:8][C:9]([c:10]1[cH:11][c:12]2[c:13]([n+:14]([O-:42])[n:15](-[c:17]3[c:18]([OH:41])[c:19]([C:31]([CH3:32])([CH3:33])[c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[cH:20][c:21]([C:23]([CH3:24])([CH3:25])[CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:22]3)[n:16]2)[cH:43][cH:44]1)([F:45])[F:46].[Na+:2].[OH-:1]>>[F:8][C:9]([c:10]1[cH:11][c:12]2[c:13]([n:14][n:15](-[c:17]3[c:18]([OH:41])[c:19]([C:31]([CH3:32])([CH3:33])[c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[cH:20][c:21]([C:23]([CH3:24])([CH3:25])[CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:22]3)[n:16]2)[cH:43][cH:44]1)([F:45])[F:46]Participants
7
Sources & evidence
- ORD record
- ord-00897c8ff59c48d5a3261d0ba4a9ac11
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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