Potassium Cation → Hydrochloric Acid

HRID 160006Notes

Reaction equation

HRID 160006 reaction equation
[BH:26]([OH:27])[OH:28].[C:29](#[N:30])[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:42].[K+:43].[OH2:44].[Pd:51].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[ClH:1].[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([CH2:31][C:29]#[N:30])[cH:37][cH:36]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1

Participants

11

Reactant 9

HCID 813Potassium Cation2×HCID 962WaterHCID 8794PhenylacetonitrileHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 31374DimethylacetamideHCID 61668Boronic AcidHCID 866416623'-chloro-4-(1-phenyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Product 2

HCID 313Hydrochloric AcidHCID 593220492-[4-[3-[4-[(1-Phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]acetonitrile

Sources & evidence

ORD record
ord-2f6f5cbbd13f4966a3f847a4e67fc294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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