Ammonium → tert-Butyl 4-{3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl}piperazine-1-carboxylate
Reaction equation
[B-:38]([F:39])([F:40])([F:41])[F:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1.[C:21](=[O:22])([O-:23])[O-:24].[C:64](=[O:65])([OH:66])[O-:67].[CH2:43]([P:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:69][OH:70].[Cl-:56].[K+:25].[K+:26].[NH4+:57].[Na+:68].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[OH2:63].[OH:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Pd:71].[Pd:72]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2-[c:32]2[cH:31][cH:30][c:29]([CH2:28][OH:27])[cH:34][cH:33]2)[CH2:12][CH2:13]1Participants
16
Reactant 15
HCID 223Ammonium
HCID 312Chloride
HCID 769Bicarbonate Ion
HCID 813Potassium Cation2×
HCID 887Methanol
HCID 923Sodium ion
HCID 962Water
HCID 8028Tetrahydrofuran
HCID 13831Tributylphosphine
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 26255Tetrafluoroborate
HCID 95417Dibenzylidene acetone3×
HCID 27347064-(Hydroxymethyl)benzeneboronic acid
HCID 11150691Tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-7544e0a5228b4b5db3cbad1c6c9e9daa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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