Potassium Cation → HCID 66641326, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH3:20])[c:4]([CH2:12][N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18][CH2:19]2)[n:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[F:21][c:22]1[c:23]([NH:32][C:33](=[O:34])[NH:35][c:36]2[cH:37][cH:38][c:39]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:40][cH:41]2)[cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]1.[K+:51].[K+:52].[O-:53][C:54]([O-:55])=[O:56].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[OH2:57].[Pd:64].[c:103]1([P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:122]1([P:123]([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137][cH:138][cH:139][cH:140]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[c:2]1(-[c:39]2[cH:38][cH:37][c:36]([NH:35][C:33]([NH:32][c:23]3[c:22]([F:21])[cH:27][cH:26][c:25]([C:28]([F:29])([F:30])[F:31])[cH:24]3)=[O:34])[cH:41][cH:40]2)[c:3]([CH3:20])[c:4]([CH2:12][N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18][CH2:19]2)[n:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12Participants
9
Reactant 8
HCID 813Potassium Cation2×
HCID 962Water
HCID 11776Triphenylphosphine4×
HCID 19660Carbonate Ion
HCID 23938Palladium
HCID 312751,4-Dioxane
HCID 161252301-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
HCID 579551855-Bromo-6-methyl-7-(1,4-oxazepan-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amineProduct 1
Sources & evidence
- ORD record
- ord-f58693623b8e4b639bb4154229c30179
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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