Hydrochloric Acid → HCID 178508347, compound

HRID 646738Notes

Reaction equation

[NH2:1][C:2]1[N:3]=[CH:4][C:5]([C:19]2[CH:20]=[C:21]([CH:33]=[CH:34][CH:35]=2)[C:22]([NH:24][CH2:25][C:26]2[CH:31]=[CH:30][C:29](Cl)=[CH:28][CH:27]=2)=[O:23])=[N:6][C:7]=1[C:8]1[NH:12][C:11]([C@H:13]2[CH2:18][CH2:17][CH2:16][NH:15][CH2:14]2)=[N:10][N:9]=1.[ClH:36]>>[NH2:1][C:2]1[N:3]=[CH:4][C:5]([C:19]2[CH:20]=[C:21]([CH:33]=[CH:34][CH:35]=2)[C:22]([NH:24][CH2:25][C:26]2[CH:27]=[CH:28][CH:29]=[C:30]([Cl:36])[CH:31]=2)=[O:23])=[N:6][C:7]=1[C:8]1[NH:12][C:11]([C@H:13]2[CH2:18][CH2:17][CH2:16][NH:15][CH2:14]2)=[N:10][N:9]=1

Participants

Reactant 2

HCID 313Hydrochloric Acid

HCID 178508348HCID 178508348, compound

Product 1

HCID 178508347HCID 178508347, compound

Procedure

3-(5-amino-6-{5-[(3S)-piperidin-3-yl]-4H-1,2,4-triazol-3-yl}pyrazin-2-yl)-N-[(4-chlorophenyl)methyl]benzamide): 1H NMR (400 MHz; DMSO-d6): 9.3 (t, 1H); 8.9 (m, 2H); 8.67 (s, 1H); 8.4 (d, 1H); 7.8 (d, 1H); 7.7 (m, NH); 7.6 (t, 1H); 7.2 (m, 4H); 4.5 (d, 2H); 3.6 (d, 1H); 3.4-3.1 (m, 3H); 3.0 (m, 1H); 2.1 (m, 1H); 1.8 (m, 3H); MS (EI) for C25H25N8OCl HCl: 489 (MH+).

Sources & evidence

ORD record: ord-bdc7da66e025459cb870b5aaeaa7cecc
Source dataset: uspto-grants-2010_04
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07704995B2

Reaction notes

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