Ammonium → Hydrochloric Acid

HRID 700763Notes

Reaction equation

HRID 700763 reaction equation
[B-:43]([F:44])([F:45])([F:46])[F:47].[C:23](=[O:24])([O-:25])[O-:26].[C:29]([CH3:30])(=[O:31])[NH:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[C:69](=[O:70])([OH:71])[O-:72].[CH2:48]([P:49]([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[CH3:74][OH:75].[Cl-:61].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[c:16]([CH3:22])[n:17][n:18]([CH2:20][CH3:21])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:27].[K+:28].[NH4+:62].[Na+:73].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH2:68].[Pd:76].[Pd:77]>>[ClH:1].[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([CH2:33][NH:32][C:29]([CH3:30])=[O:31])[cH:39][cH:38]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[c:16]([CH3:22])[n:17][n:18]([CH2:20][CH3:21])[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 223094544-[(Acetylamino)methyl]benzeneboronic acidHCID 866416653'-chloro-4-(1-ethyl-3-methyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Product 2

HCID 313Hydrochloric AcidHCID 59321790N-[[4-[3-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]acetamide

Sources & evidence

ORD record
ord-162ecbd7f22b49ddb167db0678bbf769
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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