Potassium Cation → Hydrochloric Acid

HRID 693475Notes

Reaction equation

HRID 693475 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH3:29][O:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[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]([CH2:21][CH3:22])[c:19]3[CH3:20])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:27].[K+:28].[OH2:41].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[ClH:1].[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([CH2:31][O:30][CH3:29])[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]([CH2:21][CH3:22])[c:19]3[CH3:20])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1

Participants

9

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 37238124-(Methoxymethyl)benzeneboronic acidHCID 866416643'-chloro-4-(1-ethyl-5-methyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinylHCID 178420554HCID 178420554, compound

Product 2

HCID 313Hydrochloric AcidHCID 593220372-[4-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)phenyl]pyrazine

Sources & evidence

ORD record
ord-2a94710f8b754f2988c950b52cd582da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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