Bicarbonate Ion → 1-[4-(Methylsulfinyl)phenyl]-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

HRID 95925

Reaction equation

HRID 95925 reaction equation
[C:40](=[O:41])([O-:42])[OH:43].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([CH3:28])[c:17]([CH3:27])[c:18]4[c:19]([c:25]3[CH3:26])[CH2:20][C:21]([CH3:23])([CH3:24])[O:22]4)[CH2:13][CH2:14]2)[cH:7][cH:8]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:29][c:30]1[cH:31][cH:32][cH:33][c:34]([C:35]([O:36][OH:38])=[O:37])[cH:39]1.[Na+:44]>>[CH3:1][S:2]([c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([CH3:28])[c:17]([CH3:27])[c:18]4[c:19]([c:25]3[CH3:26])[CH2:20][C:21]([CH3:23])([CH3:24])[O:22]4)[CH2:13][CH2:14]2)[cH:7][cH:8]1)=[O:37]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 70297m-Chloroperbenzoic acidHCID 594850911-[4-(Methylsulfanyl)phenyl]-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

Product 1

HCID 594850291-[4-(Methylsulfinyl)phenyl]-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

Sources & evidence

ORD record
ord-d04128d6faf042b7bf207f687138bbcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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