Acetone → HCID 23114314, compound

HRID 1210238Notes

Reaction equation

HRID 1210238 reaction equation
[CH3:49][C:50](=[O:51])[CH3:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[O:1]1[CH:2]([c:6]2[cH:7][c:8]([CH:12]3[CH2:13][O:14][c:15]4[c:16]3[c:17]([CH3:31])[c:18]([NH:23][C:24]([CH2:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[c:19]([CH3:22])[c:20]4[CH3:21])[cH:9][cH:10][cH:11]2)[O:5][CH2:4][CH2:3]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1.[nH+:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[O:1]=[CH:2][c:6]1[cH:7][c:8]([CH:12]2[CH2:13][O:14][c:15]3[c:16]2[c:17]([CH3:31])[c:18]([NH:23][C:24]([CH2:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[c:19]([CH3:22])[c:20]3[CH3:21])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 4989215PyridiniumHCID 23114090HCID 23114090, compound

Product 1

HCID 23114314HCID 23114314, compound

Sources & evidence

ORD record
ord-9044478ca44046d9b53d45177d6c8c22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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