Ammonium → 1-Acetyl-4-(4-imidazol-1-ylphenyl)-piperazine

HRID 1208346Notes

Reaction equation

HRID 1208346 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]2)[CH2:8][CH2:9]1.[C:54](=[O:55])([O-:56])[O-:57].[Cs+:58].[Cs+:59].[Cu+:83].[F:75][C:76]([F:77])([F:78])[S:79]([O-:80])(=[O:81])=[O:82].[NH4+:60].[c:36]1([CH:37]=[CH:38][C:39](=[O:40])[CH:41]=[CH:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:61]1([CH3:62])[c:63]([CH3:64])[cH:65][cH:66][cH:67][cH:68]1.[cH:22]1[cH:23][c:24]2[cH:25][cH:26][c:27]3[c:28]([c:29]2[n:30][cH:31]1)[n:32][cH:33][cH:34][cH:35]3.[cH:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[nH:17]1[cH:18][n:19][cH:20][cH:21]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13](-[n:17]3[cH:18][n:19][cH:20][cH:21]3)[cH:14][cH:15]2)[CH2:8][CH2:9]1

Participants

12

Reactant 11

HCID 223AmmoniumHCID 241BenzeneHCID 795ImidazoleHCID 13181,10-PhenanthrolineHCID 7237O-XyleneHCID 19660Carbonate IonHCID 95417Dibenzylidene acetoneHCID 104815Copper(1+)HCID 104967Cesium cation2×HCID 2758875TrifluoromethanesulfonateHCID 138219171-(4-(4-Bromophenyl)piperazin-1-YL)ethanone

Product 1

HCID 231182961-Acetyl-4-(4-imidazol-1-ylphenyl)-piperazine

Sources & evidence

ORD record
ord-fb41d9de15cf473d91054064f17cfb30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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