Acetone → HCID 86736423, compound

HRID 140230Notes

Reaction equation

HRID 140230 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17])[CH:6]([c:18]2[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]2)[C:5]([C:27](=[O:28])[O:29][CH2:30][CH3:31])=[C:4]([CH:32]([O:33][CH2:37][CH3:38])[O:34][CH2:35][CH3:36])[NH:3]1.[CH3:45][C:46](=[O:47])[CH3:48].[ClH:39].[Na+:44]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17])[CH:6]([c:18]2[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]2)[C:5]([C:27](=[O:28])[O:29][CH2:30][CH3:31])=[C:4]([CH:32]=[O:33])[NH:3]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 20533149HCID 20533149, compound

Product 1

HCID 86736423HCID 86736423, compound

Sources & evidence

ORD record
ord-1de4b71f732b4e33999aff21abdc94bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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