Acetone → HCID 77275866, compound

HRID 160236Notes

Reaction equation

HRID 160236 reaction equation
[C:43](=[O:44])([OH:45])[O-:46].[CH3:48][O:49][S:50]([O:51][CH3:52])(=[O:53])=[O:54].[CH3:55][C:56](=[O:57])[CH3:58].[Na+:47].[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[cH:7][c:8]([NH:12][C:13](=[O:14])[CH:15]2[NH:16][CH:17]([CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42])[C:18]([C:28]#[N:29])([c:30]3[c:31]([F:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[CH:19]2[c:20]2[c:21]([CH3:27])[c:22]([Cl:26])[cH:23][cH:24][cH:25]2)[cH:9][cH:10][cH:11]1>>[n:1]1[n:2][n:3][n:4]([CH3:43])[c:5]1-[c:6]1[cH:7][c:8]([NH:12][C:13](=[O:14])[CH:15]2[NH:16][CH:17]([CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42])[C:18]([C:28]#[N:29])([c:30]3[c:31]([F:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[CH:19]2[c:20]2[c:21]([CH3:27])[c:22]([Cl:26])[cH:23][cH:24][cH:25]2)[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6497Dimethyl SulfateHCID 178427902HCID 178427902, compound

Product 1

HCID 77275866HCID 77275866, compound

Sources & evidence

ORD record
ord-6799fc7daece4e159c3a35f183f79caf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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