Acetone → HCID 58979133, compound

HRID 2151374Notes

Reaction equation

HRID 2151374 reaction equation
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:23][O:24][C:25]([CH2:26][C:27]([CH:28]([CH3:29])[Br:30])=[O:31])=[O:32].[CH3:34][C:35](=[O:36])[CH3:37].[OH2:33].[c:1]1(-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[OH:9])[cH:5][cH:6]1>>[c:1]1(-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][c:4]([C:7]([O:8][CH:28]([C:27]([CH2:26][C:25]([O:24][CH3:23])=[O:32])=[O:31])[CH3:29])=[O:9])[cH:5][cH:6]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 8471TriethylamineHCID 66724(1,1'-Biphenyl)-4-carboxylic acidHCID 9815681Methyl 4-bromo-3-oxopentanoate

Product 1

HCID 58979133HCID 58979133, compound

Sources & evidence

ORD record
ord-2b9875266f7943c1b7c2f5eedc9f1184
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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