Water → HCID 178439800, compound
Reaction equation
[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21](-[c:30]4[s:31][cH:32][c:33]([C:35]([CH3:36])([CH3:37])[OH:38])[n:34]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41].[OH2:42].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([OH:49])(=[O:50])=[O:51])[cH:52][cH:53]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21](-[c:30]4[s:31][cH:32][c:33]([C:35](=[CH2:36])[CH3:37])[n:34]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41]Participants
6
Sources & evidence
- ORD record
- ord-0a6e5abc66a946a4ada45ba7f40a57ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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