Bicarbonate Ion → 5-[4-[5-[methyl(4,4,5,5,5-pentafluoropentyl)amino]pentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
Reaction equation
[C:62](=[O:63])([OH:64])[O-:65].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([C:15]2=[C:16]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:17][CH2:18][CH2:19][c:20]3[c:21]2[cH:22][cH:23][c:24]([O:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][O:32]2)[cH:25]3)[cH:13][cH:14]1)[CH2:39][CH2:40][CH2:41][C:42]([C:43]([F:44])([F:45])[F:46])([F:47])[F:48].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:67][OH:68].[Na+:66].[OH2:69].[OH:56][C:57]([C:58](=[O:59])[OH:60])=[O:61]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([C:15]2=[C:16]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:17][CH2:18][CH2:19][c:20]3[c:21]2[cH:22][cH:23][c:24]([OH:26])[cH:25]3)[cH:13][cH:14]1)[CH2:39][CH2:40][CH2:41][C:42]([C:43]([F:44])([F:45])[F:46])([F:47])[F:48]Participants
8
Sources & evidence
- ORD record
- ord-448a0e196d714a2e83897ac19780d817
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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