Acetone → HCID 59752513, compound

HRID 677668Notes

Reaction equation

HRID 677668 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10](-[c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:11]2[c:17]1[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2.[CH3:31][O:32][C:33]([CH2:34][Br:35])=[O:36].[CH3:37][C:38](=[O:39])[CH3:40].[Na+:29].[Na+:30]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10](-[c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:11]2[c:17]1[CH2:16][CH2:15][N:14]([CH2:34][C:33]([O:32][CH3:31])=[O:36])[CH2:13][CH2:12]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 60984Methyl bromoacetateHCID 11151899JNJ-18038683 free base

Product 1

HCID 59752513HCID 59752513, compound

Sources & evidence

ORD record
ord-0414d507717c494d94d4f525e7c8b1c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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