Potassium Cation → Hydrochloric Acid

HRID 156226Notes

Reaction equation

HRID 156226 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][N:41]([CH3:42])[C:43](=[O:44])[CH3:45].[Cl:12][c:13]1[c:14]([N:19]2[CH2:20][CH2:21][N:22]([CH2:25][c:26]3[c:27]([CH3:33])[n:28][n:29]([CH3:32])[c:30]3[CH3:31])[CH2:23][CH2:24]2)[n:15][cH:16][cH:17][n:18]1.[K+:38].[K+:39].[OH2:46].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[ClH:12].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:13]2[c:14]([N:19]3[CH2:20][CH2:21][N:22]([CH2:25][c:26]4[c:27]([CH3:33])[n:28][n:29]([CH3:32])[c:30]4[CH3:31])[CH2:23][CH2:24]3)[n:15][cH:16][cH:17][n:18]2)[cH:7][cH:8]1

Participants

9

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 27347064-(Hydroxymethyl)benzeneboronic acidHCID 866416593'-Chloro-4-(1,3,5-trimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazineHCID 178420554HCID 178420554, compound

Product 2

HCID 313Hydrochloric AcidHCID 59321755[4-[3-[4-[(1,3,5-Trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol

Sources & evidence

ORD record
ord-cba319e8153a43c0ab5af28d9d1e739b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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