Acetone → HCID 46842202, compound

HRID 155927Notes

Reaction equation

HRID 155927 reaction equation
[C:48]([O:49][CH2:50][CH3:51])(=[O:52])[CH3:53].[CH3:13][C:14]([CH3:15])=[O:16].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[Cl:17][CH2:18][c:19]1[c:20](-[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[n:21][c:22]([N:28]([S:29](=[O:30])(=[O:31])[CH3:32])[CH3:33])[n:23][c:24]1[CH:25]([CH3:26])[CH3:27].[Na+:12].[OH-:11].[OH2:41].[SH:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][cH:9][cH:10]2>>[S:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][cH:9][cH:10]2)(=[O:11])(=[O:16])[CH2:18][c:19]1[c:20](-[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[n:21][c:22]([N:28]([S:29](=[O:30])(=[O:31])[CH3:32])[CH3:33])[n:23][c:24]1[CH:25]([CH3:26])[CH3:27]

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8058HexaneHCID 8857Ethyl AcetateHCID 53307901HCID 53307901, compoundHCID 178418395HCID 178418395, compound

Product 1

HCID 46842202HCID 46842202, compound

Sources & evidence

ORD record
ord-2b73d18860bf4d10a55bbc983030065b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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