Acetone → HCID 66790816, compound

HRID 93895Notes

Reaction equation

HRID 93895 reaction equation
[C:30](=[O:31])([OH:32])[O-:33].[CH3:64][C:65](=[O:66])[CH3:67].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([CH2:7][O:8][P:9]([OH:10])([OH:11])=[O:12])[N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([NH2:27])[cH:25][cH:26]1.[Na+:29].[Na+:34].[O:35]=[C:36]1[CH2:37][CH2:38][C:39](=[O:40])[N:41]1[O:42][C:43]([CH:44]([CH:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[NH:58][C:59](=[O:60])[O:61][CH3:62])=[O:63].[OH-:28]>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([CH2:7][O:8][P:9]([OH:10])([OH:11])=[O:12])[N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([NH2:27])[cH:25][cH:26]1)[C:43](=[O:42])[CH:44]([CH:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[NH:58][C:59](=[O:60])[O:61][CH3:62]

Participants

7

Reactant 6

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 17751171HCID 17751171, compoundHCID 57909288HCID 57909288, compound

Product 1

HCID 66790816HCID 66790816, compound

Sources & evidence

ORD record
ord-b5c34ee08799417cbee7c5640c168b84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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