Acetone → HCID 178519266, compound

HRID 1230047Notes

Reaction equation

HRID 1230047 reaction equation
[CH3:34][N+:35]1([O-:36])[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[CH3:54][C:55](=[O:56])[CH3:57].[Cl:1][c:2]1[c:3]([C:9]2([c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[O:10][c:11]3[c:12]([cH:14][c:15]([F:25])[c:16]([C:18](=[O:19])[N:20]4[CH2:21][CH:22]=[CH:23][CH2:24]4)[cH:17]3)[O:13]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:52].[Na+:53].[OH2:33].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:58].[S:47]([O-:48])([O-:49])(=[O:50])=[S:51]>>[Cl:1][c:2]1[c:3]([C:9]2([c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[O:10][c:11]3[c:12]([cH:14][c:15]([F:25])[c:16]([C:18](=[O:19])[N:20]4[CH2:21][CH:22]([OH:33])[CH:23]([OH:42])[CH2:24]4)[cH:17]3)[O:13]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 923Sodium ion2×HCID 962Water7×HCID 1084Thiosulfate ionHCID 82029Methyl morpholine oxideHCID 22475223HCID 22475223, compound

Product 1

HCID 178519266HCID 178519266, compound

Sources & evidence

ORD record
ord-9b7368d9cef2427aa65d3263c2214fe8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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