Acetone → HCID 21412476, compound

HRID 282273Notes

Reaction equation

HRID 282273 reaction equation
[C:28](=[O:29])([OH:30])[O-:31].[CH3:1][C:2]([Cl:3])=[O:4].[CH3:34][C:35](=[O:36])[CH3:37].[CH3:5][O:6][C:7](=[O:8])[NH:9][C:10]([NH:11][c:12]1[cH:13][c:14]([NH2:15])[cH:16][cH:17][c:18]1[NH:19][C:20](=[S:21])[NH:22][C:23](=[O:24])[O:25][CH3:26])=[S:27].[Na+:32].[OH2:33]>>[CH3:1][C:2](=[O:4])[NH:15][c:14]1[cH:13][c:12]([NH:11][C:10]([NH:9][C:7]([O:6][CH3:5])=[O:8])=[S:27])[c:18]([NH:19][C:20](=[S:21])[NH:22][C:23](=[O:24])[O:25][CH3:26])[cH:17][cH:16]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6367Acetyl chlorideHCID 21412481HCID 21412481, compound

Product 1

HCID 21412476HCID 21412476, compound

Sources & evidence

ORD record
ord-7e7552c617e9430f884afe6eb4e69ad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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