Acetone → HCID 66990342, compound

HRID 1561315Notes

Reaction equation

HRID 1561315 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[c:17]([C:18](=[O:19])[NH:20][c:21]2[c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31][c:32](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:33]2)[cH:40][c:41]([CH2:44][CH2:45][Br:46])[cH:42][cH:43]1.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:53][C:54](=[O:55])[CH3:56].[K+:51].[K+:52]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:45][CH2:44][c:41]2[cH:40][c:17]([C:18](=[O:19])[NH:20][c:21]3[c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31][c:32](-[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[cH:33]3)[c:16]([O:15][CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[cH:43][cH:42]2)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 531671-MethylpiperazineHCID 66990392HCID 66990392, compound

Product 1

HCID 66990342HCID 66990342, compound

Sources & evidence

ORD record
ord-8fc646905aeb417c8e53680e3f8282df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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