Potassium Cation → HCID 21500261, compound

HRID 2154033Notes

Reaction equation

HRID 2154033 reaction equation
[CH3:47][CH:48]([CH3:49])[CH2:50][C:51](=[O:52])[CH3:53].[Cl:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([n:26]([CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[c:27](=[O:29])[nH:28]2)[c:36]1[CH3:37].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][Cl:12])[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[I-:45].[K+:44].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:46]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:33]2[CH2:32][CH2:31][CH:30]([n:26]3[c:25]4[c:24]([cH:23][cH:22][c:21]([Cl:20])[c:36]4[CH3:37])[nH:28][c:27]3=[O:29])[CH2:35][CH2:34]2)[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 768201,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)HCID 13792105HCID 13792105, compound

Product 1

HCID 21500261HCID 21500261, compound

Sources & evidence

ORD record
ord-e92d99bf974449529c5d605b91cfb7d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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