Cumene Hydroperoxide → HCID 178455827, compound

HRID 2029808Notes

Reaction equation

HRID 2029808 reaction equation
CC(c1ccccc1)(O[OH:1])C.[CH3:2][CH2:3][C@@H:4]1[C@H:9]([CH2:10][C@@H:11]([C@@H:12]([c:14]2[c:25]([c:18]3[n:17][cH:16][cH:15]2)[cH:24][c:21]([O:22][CH3:23])[cH:20][cH:19]3)[OH:13])[N:6]4[CH2:5]1)[CH2:8][CH2:7]4>>[CH3:2][CH2:3][C@@H:4]1[C@H:9]([CH2:10][C@@H:11]([C@@H:12]([c:14]2[c:25]([c:18]3[n:17][c:16]([OH:1])[cH:15]2)[cH:24][c:21]([O:22][CH3:23])[cH:20][cH:19]3)[OH:13])[N:6]4[CH2:5]1)[CH2:8][CH2:7]4

Participants

9

Reactant 2

HCID 6629Cumene HydroperoxideHCID 121515(-)-Dihydroquinine

Product 1

HCID 178455827HCID 178455827, compound

Reagents, catalysts & solvents 6

HCID 284Formic AcidReagent2×HCID 795ImidazoleReagentHCID 178505967HCID 178505967, compoundCatalystHCID 111,2-DichloroethaneSolventHCID 6342AcetonitrileSolventHCID 117669-PhenylanthraceneInternal standard

Conditions

Temperature
25 °C

Sources & evidence

ORD record
ord-28c8399bcd1a4dcc985748bb121e215d
Source dataset
39k HTE dataset from Pfizer
Original link
View source

Reaction notes

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