Trifluoroacetic acid → HCID 178509957, compound

HRID 674046Notes

Reaction equation

HRID 674046 reaction equation
[Br:25][CH2:26][c:27]1[c:28]2[c:29]([n:30][c:31]([F:32])[cH:33][cH:34]2)[n:35]([C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[n:43]1.[C:19](=[O:20])([O-:21])[O-:22].[Cl:1][c:2]1[cH:3][c:4]([C:17]#[N:18])[cH:5][c:6]([O:7][c:8]2[cH:9][c:10]([OH:11])[cH:12][cH:13][c:14]2[Cl:15])[cH:16]1.[Cl:44][c:45]1[cH:46][c:47]([C:48]#[N:49])[cH:50][c:51]([O:53][c:54]2[c:55]([Cl:79])[cH:56][cH:57][c:58]([O:60][CH2:61][c:62]3[n:63][n:64]([C:72]([O:73][C:74]([CH3:75])([CH3:76])[CH3:77])=[O:78])[c:65]4[n:66][c:67]([F:71])[cH:68][cH:69][c:70]34)[cH:59]2)[cH:52]1.[Cs+:23].[Cs+:24].[F:80][C:81]([F:82])([F:83])[C:84]([OH:85])=[O:86]>>[Cl:44][c:45]1[cH:46][c:47]([C:48]#[N:49])[cH:50][c:51]([O:53][c:54]2[c:55]([Cl:79])[cH:56][cH:57][c:58]([O:60][CH2:61][c:62]3[n:63][nH:64][c:65]4[n:66][c:67]([F:71])[cH:68][cH:69][c:70]34)[cH:59]2)[cH:52]1

Participants

7

Reactant 6

HCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 251318873-Chloro-5-(2-chloro-5-hydroxyphenoxy)benzonitrileHCID 25132591tert-butyl 3-(bromomethyl)-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylateHCID 251325923-chloro-5-{2-chloro-5-[(1-t-butyloxycarbonyl-6-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]phenoxy}benzonitrile

Product 1

HCID 178509957HCID 178509957, compound

Sources & evidence

ORD record
ord-6bf46de43a58408e90a1e6df1228d42a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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