Ammonium → 4-(1,4-Dioxaspiro[4,5]dec-8-yl)-1-(4-ethoxy-2,3-difluorophenyl)cyclohexanol

HRID 2334194Notes

Reaction equation

HRID 2334194 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([F:11])[c:6]([F:10])[cH:7][cH:8][cH:9]1.[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH:12]([Li:13])([CH2:14][CH3:15])[CH3:16].[Cl-:34].[NH4+:35].[O:17]1[CH2:18][CH2:19][O:20][C:21]12[CH2:22][CH2:23][CH:24]([CH:27]1[CH2:28][CH2:29][C:30](=[O:33])[CH2:31][CH2:32]1)[CH2:25][CH2:26]2>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([F:11])[c:6]([F:10])[c:7]([C:30]2([OH:33])[CH2:29][CH2:28][CH:27]([CH:24]3[CH2:23][CH2:22][C:21]4([O:17][CH2:18][CH2:19][O:20]4)[CH2:26][CH2:25]3)[CH2:32][CH2:31]2)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8109134-(1,4-Dioxa-spiro(4.5)dec-8-yl)-cyclohexanoneHCID 27829281-Ethoxy-2,3-DifluorobenzeneHCID 178418400CID 53628100

Product 1

HCID 597736464-(1,4-Dioxaspiro[4,5]dec-8-yl)-1-(4-ethoxy-2,3-difluorophenyl)cyclohexanol

Sources & evidence

ORD record
ord-d41009db6a414e8e93af480892bc131a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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