Acetic Acid → HCID 178501806, compound
Reaction equation
[CH3:57][C:58](=[O:59])[OH:60].[CH3:68][C:69]#[N:70].[Cs+:62].[F-:61].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[N:15]([C:16](=[O:17])[N:18]2[CH:19]([c:46]3[c:47]([CH3:53])[cH:48][c:49]([F:52])[cH:50][cH:51]3)[CH2:20][C:21]([NH:24][S:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])([CH2:31][CH:32]=[C:33]([C:34](=[O:35])[O:36][CH3:37])[O:38][Si:39]([C:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45])[CH2:22][CH2:23]2)[CH3:54])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:55])[F:56].[Na+:67].[O-:63][C:64]([OH:65])=[O:66]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[N:15]([C:16](=[O:17])[N:18]2[CH:19]([c:46]3[c:47]([CH3:53])[cH:48][c:49]([F:52])[cH:50][cH:51]3)[CH2:20][C:21]([NH:24][S:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])([CH2:31][CH2:32][C:33]([C:34](=[O:35])[O:36][CH3:37])=[O:38])[CH2:22][CH2:23]2)[CH3:54])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:55])[F:56]Participants
8
Sources & evidence
- ORD record
- ord-140c8d652650440ba0e978115bdbb3c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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