Acetone → HCID 15684669, compound

HRID 2311471Notes

Reaction equation

HRID 2311471 reaction equation
[C:26](=[O:27])([OH:28])[O-:29].[CH3:1][C:2]([Cl:3])=[O:4].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH3:37][C:38](=[O:39])[CH3:40].[NH2:5][c:6]1[c:7]([OH:25])[cH:8][c:9]([CH2:12][CH2:13][c:14]2[n:15][c:16]3[n:17]([cH:18][cH:19][c:20]([CH3:22])[cH:21]3)[c:23]2[CH3:24])[cH:10][cH:11]1.[Na+:30].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:41]>>[CH3:1][C:2](=[O:4])[NH:5][c:6]1[c:7]([OH:25])[cH:8][c:9]([CH2:12][CH2:13][c:14]2[n:15][c:16]3[n:17]([cH:18][cH:19][c:20]([CH3:22])[cH:21]3)[c:23]2[CH3:24])[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 15684642HCID 15684642, compound

Product 1

HCID 15684669HCID 15684669, compound

Sources & evidence

ORD record
ord-6e7a7a4db2744cbcb7075be2157ab7a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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