Acetone → HCID 17842499, compound

HRID 113775Notes

Reaction equation

HRID 113775 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][c:22]2[c:23]([n:26][c:27]([CH:29]=[CH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[o:28]2)[CH2:24][CH2:25]1.[CH3:1][C:2]([CH3:3])=[O:4].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:5][N+:6]1([O-:7])[CH2:8][CH2:9][O:10][CH2:11][CH2:12]1.[Na+:42].[Na+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:55].[S:37]([O-:38])([O-:39])(=[O:40])=[S:41]>>[O:4]=[CH:29][c:27]1[n:26][c:23]2[c:22]([o:28]1)[CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24]2

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 82029Methyl morpholine oxideHCID 66786479HCID 66786479, compound

Product 1

HCID 17842499HCID 17842499, compound

Sources & evidence

ORD record
ord-2c586ac5ccd646898e027daa31e4479c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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