Bromide ion → 1-(3-Cyclohexyl-3-hydroxy-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

HRID 146338Notes

Reaction equation

HRID 146338 reaction equation
[Br-:1].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:9][O:10][c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([c:23]3[c:24]([CH3:37])[c:25]([CH3:36])[c:26]4[c:27]([c:34]3[CH3:35])[C:28](=[O:33])[C:29]([CH3:31])([CH3:32])[O:30]4)[CH2:21][CH2:22]2)[cH:15][cH:16]1.[CH:2]1([Mg+:8])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[OH2:38]>>[CH:2]1([C:28]2([OH:33])[c:27]3[c:26]([c:25]([CH3:36])[c:24]([CH3:37])[c:23]([N:20]4[CH2:19][CH2:18][N:17]([c:14]5[cH:13][cH:12][c:11]([O:10][CH3:9])[cH:16][cH:15]5)[CH2:22][CH2:21]4)[c:34]3[CH3:35])[O:30][C:29]2([CH3:31])[CH3:32])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 259Bromide ionHCID 962WaterHCID 8028TetrahydrofuranHCID 229355955-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3(2H)-oneHCID 178507034HCID 178507034, compound

Product 1

HCID 101627441-(3-Cyclohexyl-3-hydroxy-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

Sources & evidence

ORD record
ord-ddf5300812aa4e9a932a529b1f719d57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…