Acetone → HCID 66990822, compound

HRID 180031Notes

Reaction equation

HRID 180031 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[O:21][c:22]1[c:23]([C:24](=[O:25])[NH:26][c:27]2[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37][c:38](-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:39]2)[cH:46][c:47]([O:50][CH2:51][CH2:52][Br:53])[cH:48][cH:49]1.[CH3:54][C:55](=[O:56])[CH3:57].[CH3:7][N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[K+:5].[K+:6]>>[CH3:7][N:8]1[CH2:9][CH2:10][N:11]([CH2:52][CH2:51][O:50][c:47]2[cH:46][c:23]([C:24](=[O:25])[NH:26][c:27]3[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37][c:38](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:39]3)[c:22]([O:21][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:49][cH:48]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 531671-MethylpiperazineHCID 66990269HCID 66990269, compound

Product 1

HCID 66990822HCID 66990822, compound

Sources & evidence

ORD record
ord-c83c3674b7ff46d7b3e189fb24f52989
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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