Hydrochloric Acid → HCID 86715521, compound

HRID 2284607Notes

Reaction equation

[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:13]([C:14]3[CH:15]=[C:16]4[C:20](=[CH:21][CH:22]=3)[N:19]([C:23]([N:25]3[C:33]5C(=C[C:30]([C:34]6[C:35](C7C=CC(F)=C(C)C=7)=[N:36]C=CC=6)=[CH:31][CH:32]=5)C=N3)=[O:24])[N:18]=[CH:17]4)=[CH:12][CH:11]=[CH:10][N:9]=2)=[CH:4][C:3]=1[CH3:48].[ClH:49]>>[ClH:49].[NH2:36][C@@H:35]1[CH2:34][CH2:30][CH2:31][CH2:32][C@H:33]1[NH:25][C:23]([N:19]1[C:20]2[C:16](=[CH:15][C:14]([C:13]3[C:8]([C:5]4[CH:6]=[CH:7][C:2]([F:1])=[C:3]([CH3:48])[CH:4]=4)=[N:9][CH:10]=[CH:11][CH:12]=3)=[CH:22][CH:21]=2)[CH:17]=[N:18]1)=[O:24]

Participants

Reactant 2

HCID 313Hydrochloric Acid

HCID 86715523HCID 86715523, compound

Product 1

HCID 86715521HCID 86715521, compound

Procedure

1H NMR (300 MHz, DMSO-d6): δ 8.82 (d, J=5.2 Hz, 1H), 8.71 (s, 1H), 8.49 (d, J=9.0 Hz, 1H), 8.42 (d, J=0.7 Hz, 1H), 8.32 (d, J=7.8 Hz, 1H), 8.16 (d, J=8.8 Hz, 3H), 7.95-7.81 (m, 1H), 7.80 (s, 1H), 7.48 (d, J=6.7 Hz, 1H), 7.33 (dd, J=8.7, 1.6 Hz, 1H), 7.16-6.89 (m, 2H), 3.75-3.52 (m, 2H), 3.46 (dd, J=8.0, 4.0 Hz, 1H), 2.12 (s, 3H), 1.94-1.78 (m, 1H), 1.75-1.55 (m, 3H), 1.50-1.35 (m, 1H), 1.31-1.02 (m, 2H).LCMS: rt 4.63 min (A), purity 92%, MS (m/e) 444 (MH+-HCl).

Sources & evidence

ORD record: ord-1934e927bec64b118c913be4aba0a39c
Source dataset: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09145433B2

Reaction notes

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