Water → 1-(3-Hydroxy-2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

HRID 120257Notes

Reaction equation

HRID 120257 reaction equation
[Br:6][c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][N:25]([c:28]3[c:29]([CH3:42])[c:30]([CH3:41])[c:31]4[c:32]([c:39]3[CH3:40])[C:33](=[O:38])[C:34]([CH3:36])([CH3:37])[O:35]4)[CH2:26][CH2:27]2)[cH:20][cH:21]1.[OH2:43]>>[c:7]1([C:33]2([OH:38])[c:32]3[c:31]([c:30]([CH3:41])[c:29]([CH3:42])[c:28]([N:25]4[CH2:24][CH2:23][N:22]([c:19]5[cH:18][cH:17][c:16]([O:15][CH3:14])[cH:21][cH:20]5)[CH2:27][CH2:26]4)[c:39]3[CH3:40])[O:35][C:34]2([CH3:36])[CH3:37])[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 962WaterHCID 78054-BromotolueneHCID 8028TetrahydrofuranHCID 229355955-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3(2H)-oneHCID 178418339Butyllithium

Product 1

HCID 102778831-(3-Hydroxy-2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

Sources & evidence

ORD record
ord-365a440a668c4bf3899a8fe4a0e80a39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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