Acetone → HCID 66991612, compound

HRID 2318429Notes

Reaction equation

HRID 2318429 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:22][c:23]1[c:24]([C:25](=[O:26])[NH:27][c:28]2[c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][c:39](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:40]2)[cH:47][c:48]([O:51][CH2:52][CH2:53][Br:54])[cH:49][cH:50]1.[CH2:7]([CH3:8])[N:9]1[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]1.[CH3:55][C:56](=[O:57])[CH3:58].[K+:5].[K+:6]>>[CH2:7]([CH3:8])[N:9]1[CH2:10][CH2:11][N:12]([CH2:53][CH2:52][O:51][c:48]2[cH:47][c:24]([C:25](=[O:26])[NH:27][c:28]3[c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][c:39](-[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:40]3)[c:23]([O:22][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:50][cH:49]2)[CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 791961-EthylpiperazineHCID 66990269HCID 66990269, compound

Product 1

HCID 66991612HCID 66991612, compound

Sources & evidence

ORD record
ord-e05f57e92346456497eff9d7a4797fb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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