Hexane → 2,3-Difluoro-1-[4-(5,5,6,6,7,7,8,8,8-nonafluorooctoxy)phenyl]-4-octoxybenzene
Reaction equation
[CH3:74][CH2:75][CH2:76][CH2:77][CH2:78][CH3:79].[F:1][c:2]1[c:3](-[c:18]2[cH:19][cH:20][c:21]([OH:24])[cH:22][cH:23]2)[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:7]1[F:8].[F:25][C:26]([CH2:27][CH2:28][CH2:29][CH2:30][OH:31])([C:32]([C:33]([C:34]([F:35])([F:36])[F:37])([F:38])[F:39])([F:40])[F:41])[F:42].[O:43]=[C:44]([O:45][CH2:46][CH3:47])[N:48]=[N:49][C:50]([O:51][CH2:52][CH3:53])=[O:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[F:1][c:2]1[c:3](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH2:30][CH2:29][CH2:28][CH2:27][C:26]([F:25])([C:32]([C:33]([C:34]([F:35])([F:36])[F:37])([F:38])[F:39])([F:40])[F:41])[F:42])[cH:22][cH:23]2)[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:7]1[F:8]Participants
6
Sources & evidence
- ORD record
- ord-3c1a5886a41340a5b2ec5f4d20bf6fed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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