Cumene Hydroperoxide → HCID 178521027, compound

HRID 2029582

Reaction equation

HRID 2029582 reaction equation
CC(c1ccccc1)(O[OH:1])C.[Cl:2][c:3]1[cH:7][n:6]([C:8]2([c:11]3[nH:19][c:18]([c:13]4[n:12]3)[n:17][c:16]([N:20]5[CH2:25][C@H:24]([C:26]([N:28]6[CH2:32][CH2:31][CH2:30][CH2:29]6)=[O:27])[CH2:23][CH2:22][CH2:21]5)[cH:15][cH:14]4)[CH2:10][CH2:9]2)[n:5][cH:4]1>>[OH:1][c:14]1[c:13]([c:18]2[n:17][c:16]([N:20]3[CH2:25][C@H:24]([C:26]([N:28]4[CH2:32][CH2:31][CH2:30][CH2:29]4)=[O:27])[CH2:23][CH2:22][CH2:21]3)[cH:15]1)[n:12][c:11]([C:8]5([n:6]6[n:5][cH:4][c:3]([Cl:2])[cH:7]6)[CH2:10][CH2:9]5)[nH:19]2

Participants

8

Reactant 2

HCID 6629Cumene HydroperoxideHCID 178521019HCID 178521019, compound

Product 1

HCID 178521027HCID 178521027, compound

Reagents, catalysts & solvents 5

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

Conditions

Temperature
25 °C

Sources & evidence

ORD record
ord-17496de0405946c784c825ddf9bfbd3d
Source dataset
39k HTE dataset from Pfizer
Original link
View source

Linked notes

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