Acetone → HCID 178442745, compound

HRID 2317842Notes

Reaction equation

HRID 2317842 reaction equation
[CH3:45][C:46]([CH3:47])=[O:48].[CH:40]([OH:41])([CH3:42])[CH3:43].[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[OH:9])[CH2:10][CH:11]1[CH:12]([OH:39])[CH2:13][CH:14]([O:32][CH:33]2[O:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH:15]1[CH:16]=[CH:17][CH:18]([CH:19]([CH2:20][C:21]#[C:22][CH3:23])[CH3:24])[O:25][CH:26]1[O:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:44]>>[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[OH:9])[CH2:10][CH:11]1[C:12](=[O:39])[CH2:13][CH:14]([O:32][CH:33]2[O:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH:15]1[CH:16]=[CH:17][CH:18]([CH:19]([CH2:20][C:21]#[C:22][CH3:23])[CH3:24])[O:25][CH:26]1[O:27][CH2:28][CH2:29][CH2:30][CH2:31]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 3776IsopropanolHCID 178442746HCID 178442746, compound

Product 1

HCID 178442745HCID 178442745, compound

Sources & evidence

ORD record
ord-36075c9e0c6a402ba7e6fa556ecdd4c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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