Acetone → HCID 22636122, compound

HRID 119516Notes

Reaction equation

HRID 119516 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:47][C:48](=[O:49])[CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:8][CH2:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]2[cH:17][c:18]([C:19](=[O:20])[NH:21][c:22]3[cH:23][c:24]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:25][cH:26][cH:27]3)[cH:34][cH:35][c:36]2[CH3:37])[cH:38][cH:39][cH:40]1.[K+:45].[K+:46]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:9][c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([C:19](=[O:20])[NH:21][c:22]4[cH:23][c:24]([N:28]5[CH2:29][CH2:30][O:31][CH2:32][CH2:33]5)[cH:25][cH:26][cH:27]4)[cH:34][cH:35][c:36]3[CH3:37])[cH:38][cH:39][cH:40]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 531671-MethylpiperazineHCID 22636163HCID 22636163, compound

Product 1

HCID 22636122HCID 22636122, compound

Sources & evidence

ORD record
ord-9abe515e89c7496a820e66151b17a59f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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