Ethylene Glycol → 4-(4-tert-Butyl-phenyl)-indan-1-one

HRID 91792

Reaction equation

HRID 91792 reaction equation
[Br:1][c:2]1[c:3]2[c:7]([cH:8][cH:9][cH:10]1)[C:6](=[O:11])[CH2:5][CH2:4]2.[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[CH3:45][CH2:46][OH:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[O-:37][C:38]([CH3:39])=[O:40].[O-:41][C:42]([CH3:43])=[O:44].[OH2:35].[OH:31][CH2:32][CH2:33][OH:34].[Pd+2:36]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:21][cH:20]2)[c:3]2[c:7]([cH:8][cH:9][cH:10]1)[C:6](=[O:11])[CH2:5][CH2:4]2

Participants

11

Reactant 10

HCID 174Ethylene GlycolHCID 175Acetate2×HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 987131-Indanone, 4-bromo-HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343204-tert-Butylphenylboronic acid

Product 1

HCID 229905194-(4-tert-Butyl-phenyl)-indan-1-one

Sources & evidence

ORD record
ord-6d380664b64e49f79ae2d8451dda68eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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