4-Fluorophenol → HCID 58757382, compound
Reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][c:5]([CH:26]([CH3:27])[OH:28])[cH:6][c:7]1-[c:8]1[cH:9][c:10]([C:14]([CH3:15])([CH3:16])[NH:17][S:18](=[O:19])(=[O:20])[CH2:21][C:22]([F:23])([F:24])[F:25])[cH:11][cH:12][cH:13]1.[F:29][c:30]1[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]1.[O:56]=[C:57]([O:58][CH:59]([CH3:60])[CH3:61])[N:62]=[N:63][C:64]([O:65][CH:66]([CH3:67])[CH3:68])=[O:69].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5]([CH:26]([CH3:27])[O:28][c:33]2[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]2)[cH:6][c:7]1-[c:8]1[cH:9][c:10]([C:14]([CH3:15])([CH3:16])[NH:17][S:18](=[O:19])(=[O:20])[CH2:21][C:22]([F:23])([F:24])[F:25])[cH:11][cH:12][cH:13]1Participants
5
Sources & evidence
- ORD record
- ord-cd38002a0e0b47d09d8c53c218f70332
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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