Acetone → HCID 21197966, compound

HRID 2157101Notes

Reaction equation

HRID 2157101 reaction equation
[C:14](=[O:15])([O-:16])[O-:17].[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[n:30][c:31]([CH2:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[o:32][c:33]1[CH2:34][Cl:35].[CH3:43][C:44](=[O:45])[CH3:46].[F:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1.[I-:21].[K+:18].[K+:19].[K+:20]>>[F:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:34][c:33]3[c:29]([CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[n:30][c:31]([CH2:36][CH:37]4[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]4)[o:32]3)[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation3×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 705291-(2-Fluorophenyl)piperazineHCID 21197964HCID 21197964, compound

Product 1

HCID 21197966HCID 21197966, compound

Sources & evidence

ORD record
ord-8bf5ca02c0984eb38fdadcad15f1cb36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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