Benzene → (10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-bromoacetate

HRID 196250Notes

Reaction equation

HRID 196250 reaction equation
[Br-:32].[Br:27][CH2:28][C:29](=[O:30])[Cl:31].[C:22](=[O:23])([OH:24])[O-:25].[CH:1]12[CH2:2][CH2:3][C:4]3=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C:10]3([CH3:11])[CH:12]1[CH2:13][CH2:14][C:15]1([CH3:16])[CH:17]([OH:18])[CH2:19][CH2:20][CH:21]21.[K+:33].[Na+:26].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH:1]12[CH2:2][CH2:3][C:4]3=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C:10]3([CH3:11])[CH:12]1[CH2:13][CH2:14][C:15]1([CH3:16])[CH:17]([O:18][C:29]([CH2:28][Br:27])=[O:30])[CH2:19][CH2:20][CH:21]21

Participants

8

Reactant 7

HCID 241BenzeneHCID 259Bromide ionHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 540817-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta(A)Phenanthren-3-OneHCID 89602Bromoacetyl chloride

Product 1

HCID 4868219(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-bromoacetate

Sources & evidence

ORD record
ord-2c703070ea5e4dcdba3bdb16db534431
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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