Diethyl Ether → 6-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylmethyl}-1,4-benzodioxin

HRID 146841

Reaction equation

HRID 146841 reaction equation
[Al+3:2].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[OH:7][c:8]1[cH:9][c:10]2[c:11]([cH:39][cH:40]1)[O:12][C:13]([C:16](=[O:17])[N:18]1[CH2:19][CH2:20][N:21]([CH:24]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH2:22][CH2:23]1)=[CH:14][O:15]2>>[OH:7][c:8]1[cH:9][c:10]2[c:11]([cH:39][cH:40]1)[O:12][C:13]([CH2:16][N:18]1[CH2:19][CH2:20][N:21]([CH:24]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH2:22][CH2:23]1)=[CH:14][O:15]2

Participants

6

Reactant 5

HCID 3283Diethyl EtherHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 98044716-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylcarbonyl}-1,4-benzodioxin

Product 1

HCID 104338936-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylmethyl}-1,4-benzodioxin

Sources & evidence

ORD record
ord-709b230a7e1540fd895c54efb351fc5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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