Methanol → 5-[4-[4-(4,4,5,5,5-pentafluoropentylsulfinyl)butoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol

HRID 87964

Reaction equation

HRID 87964 reaction equation
[CH3:47][OH:48].[F:1][C:2]([CH2:3][CH2:4][CH2:5][S:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([C:18]2=[C:19]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:20][CH2:21][CH2:22][c:23]3[c:24]2[cH:25][cH:26][c:27]([OH:29])[cH:28]3)[cH:16][cH:17]1)([C:36]([F:37])([F:38])[F:39])[F:40].[I+3:41]([O-:42])([O-:43])([O-:44])[O-:45].[Na+:46].[OH2:49]>>[F:1][C:2]([CH2:3][CH2:4][CH2:5][S:6]([CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([C:18]2=[C:19]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:20][CH2:21][CH2:22][c:23]3[c:24]2[cH:25][cH:26][c:27]([OH:29])[cH:28]3)[cH:16][cH:17]1)=[O:42])([C:36]([F:37])([F:38])[F:39])[F:40]

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 167232PeriodateHCID 218689215-[4-[4-(4,4,5,5,5-pentafluoropentylsulfanyl)butoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol

Product 1

HCID 218689245-[4-[4-(4,4,5,5,5-pentafluoropentylsulfinyl)butoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol

Sources & evidence

ORD record
ord-569060754d11435792c2ecba9ac856ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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