Acetone → HCID 57658448, compound

HRID 213964Notes

Reaction equation

HRID 213964 reaction equation
[Br:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][Cl:34].[C:37](=[O:38])([O-:39])[O-:40].[CH3:76][C:77](=[O:78])[CH3:79].[I-:36].[K+:41].[K+:42].[NH2:1][c:2]1[c:3]([C:18]([c:19]2[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]2)=[O:27])[cH:4][cH:5][c:6](=[O:17])[n:7]1-[c:8]1[c:9]([F:16])[cH:10][c:11]([OH:15])[cH:12][c:13]1[F:14].[NH2:43][c:44]1[n:45](-[c:46]2[c:47]([F:48])[cH:49][c:50]([O:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][I:57])[cH:58][c:59]2[F:60])[c:61](=[O:62])[cH:63][cH:64][c:65]1[C:66](=[O:67])[c:68]1[cH:69][cH:70][c:71]([F:72])[cH:73][c:74]1[F:75].[Na+:35]>>[NH2:1][c:2]1[c:3]([C:18]([c:19]2[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]2)=[O:27])[cH:4][cH:5][c:6](=[O:17])[n:7]1-[c:8]1[c:9]([F:16])[cH:10][c:11]([O:15][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][Cl:34])[cH:12][c:13]1[F:14]

Participants

9

Reactant 8

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 19660Carbonate IonHCID 30165Iodide IonHCID 960701-Bromo-5-chloropentaneHCID 58608543HCID 58608543, compoundHCID 67444810HCID 67444810, compound

Product 1

HCID 57658448HCID 57658448, compound

Sources & evidence

ORD record
ord-e568705eb3cc472faaa77061075ce6c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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