Potassium Cation → HCID 45280130, compound

HRID 121950Notes

Reaction equation

HRID 121950 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:12]3[CH:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10][cH:11]1.[C:27](=[O:28])([O-:29])[O-:30].[C:33]([OH:34])([CH3:35])([CH3:36])[CH3:37].[CH3:38][OH:39].[F:18][c:19]1[c:20]([NH2:26])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[K+:31].[K+:32].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[c:2]1([NH:26][c:20]2[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]2)[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:12]3[CH:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 6386tert-ButanolHCID 97092,4-DifluoroanilineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 46899466HCID 46899466, compound

Product 1

HCID 45280130HCID 45280130, compound

Sources & evidence

ORD record
ord-f3a0da1eea2145dc986ed60ef15aee28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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