Potassium Cation → Hydrochloric Acid

HRID 96849Notes

Reaction equation

HRID 96849 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[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:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[c:19]3[CH3:20])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:31].[K+:32].[OH2:44].[OH:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[ClH:1].[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([CH2:34][OH:33])[cH:40][cH:39]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[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 27347064-(Hydroxymethyl)benzeneboronic acidHCID 866416633'-chloro-4-(5-methyl-1-phenyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinylHCID 178420554HCID 178420554, compound

Product 2

HCID 313Hydrochloric AcidHCID 59322004[4-[3-[4-[(5-Methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol

Sources & evidence

ORD record
ord-3fdc988276b143b086e547269c048c29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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