Formamide → HCID 85956452, compound

HRID 1536925Notes

Reaction equation

HRID 1536925 reaction equation
[C:22]12([CH2:23][S:24]([OH:25])(=[O:26])=[O:27])[C:28]([CH3:29])([CH3:30])[CH:31]([CH2:32][CH2:33]1)[CH2:34][C:35]2=[O:36].[C:37](=[O:38])([O-:39])[OH:40].[CH3:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])[OH:21])[cH:17][cH:18]1.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:42](=[O:43])[NH2:44].[Na+:41].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]=[O:11])[cH:9]2.[OH2:57]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([S:19]([c:16]1[cH:15][cH:14][c:13]([CH3:12])[cH:18][cH:17]1)(=[O:20])=[O:21])[NH:44][CH:42]=[O:43])[cH:9]2

Participants

10

Reactant 9

HCID 713FormamideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8058HexaneHCID 8438PiperonalHCID 8857Ethyl AcetateHCID 10818p-Toluenesulfinic acidHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-

Product 1

HCID 85956452HCID 85956452, compound

Sources & evidence

ORD record
ord-28f4840f8f2e416b9b836efca3bb7605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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