Ammonium → Hydrochloric Acid

HRID 2310438Notes

Reaction equation

HRID 2310438 reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[C:23](=[O:24])([O-:25])[O-:26].[C:67](=[O:68])([OH:69])[O-:70].[CH2:46]([P:47]([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[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.[CH3:72][OH:73].[Cl-:59].[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]([CH2:20][CH2:21][OH:22])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:27].[K+:28].[NH4+:60].[Na+:71].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:66].[Pd:74].[Pd:75]>>[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]([CH2:20][CH2:21][OH:22])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1

Participants

17

Reactant 15

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 13831TributylphosphineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 26255TetrafluoroborateHCID 95417Dibenzylidene acetone3×HCID 37238124-(Methoxymethyl)benzeneboronic acidHCID 594382452-[4-(3'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-ylmethyl)-pyrazol-1-yl]-ethanol

Product 2

HCID 313Hydrochloric AcidHCID 593217862-[4-[[4-[3-[4-(Methoxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol

Sources & evidence

ORD record
ord-da5fb3f954be457aa6cc3376dbed6fe4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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