Sodium ion → 1-[1-[2-(6,7-Dichloro-1,4-benzodioxan-2-yl)-ethyl]-4-piperidyl]-2-imidazolidinone

HRID 671399Notes

Reaction equation

HRID 671399 reaction equation
[CH3:44][CH:45]([CH3:46])[CH2:47][C:48](=[O:49])[CH3:50].[NH:26]1[CH2:27][CH2:28][CH:29]([N:32]2[C:33](=[O:37])[NH:34][CH2:35][CH2:36]2)[CH2:30][CH2:31]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[S:1]([O:2][CH2:12][CH2:13][CH:14]1[CH2:15][O:16][c:17]2[c:18]([cH:20][c:21]([Cl:25])[c:22]([Cl:24])[cH:23]2)[O:19]1)([c:3]1[cH:4][cH:5][c:6]([CH3:7])[cH:8][cH:9]1)(=[O:10])=[O:11]>>[CH2:12]([CH2:13][CH:14]1[CH2:15][O:16][c:17]2[c:18]([cH:20][c:21]([Cl:25])[c:22]([Cl:24])[cH:23]2)[O:19]1)[N:26]1[CH2:27][CH2:28][CH:29]([N:32]2[C:33](=[O:37])[NH:34][CH2:35][CH2:36]2)[CH2:30][CH2:31]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 128506042-(2-Tosyloxyethyl)-6,7-dichloro-1,4-benzodioxanHCID 130317571-(Piperidin-4-yl)imidazolidin-2-one

Product 1

HCID 128505921-[1-[2-(6,7-Dichloro-1,4-benzodioxan-2-yl)-ethyl]-4-piperidyl]-2-imidazolidinone

Sources & evidence

ORD record
ord-e187fa19aad14dbf8d1777cc81f49cd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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