Citric Acid → 6'-(3-Fluoropropoxy)-4-hydroxyspiro[cyclohexane-1,2'-inden]-1'(3'H)-one

HRID 151797Notes

Reaction equation

HRID 151797 reaction equation
[BH3:28].[C:30]([OH:31])(=[O:32])[CH2:33][C:34]([CH2:35][C:36]([OH:37])=[O:38])([C:39]([OH:40])=[O:41])[OH:42].[CH3:22][OH:23].[CH3:24][N:25]([CH3:26])[CH3:27].[F:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:19]([cH:20]1)[C:18](=[O:21])[C:11]1([CH2:10]2)[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:29].[OH2:48]>>[F:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:19]([cH:20]1)[C:18](=[O:21])[C:11]1([CH2:10]2)[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 962Water2×HCID 1146TrimethylamineHCID 6331BoraneHCID 8028TetrahydrofuranHCID 679795576'-(3-Fluoropropoxy)spiro[cyclohexane-1,2'-indene]-1',4(3'H)-dione

Product 1

HCID 679796486'-(3-Fluoropropoxy)-4-hydroxyspiro[cyclohexane-1,2'-inden]-1'(3'H)-one

Sources & evidence

ORD record
ord-8c3ae4c1f9da42a08deaf4ba37d5ac45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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