HCID 74983269, compound → HCID 74983271, compound

HRID 1915946Notes

Reaction equation

[NH2:1][C:2]1[S:6][C:5]([C:7]2[C:12]([F:13])=[CH:11][CH:10]=[CH:9][C:8]=2[F:14])=[N:4][C:3]=1[C:15]([NH:17][C:18]1[CH:19]=[N:20][N:21]([CH3:34])[C:22]=1[N:23]1[CH2:32][C:28]2(OC[CH2:29]2)[CH2:27][CH:26]([NH2:33])[CH2:25][CH2:24]1)=[O:16].C=C1CN(C2N(C)N=CC=2[N+]([O-])=O)CC[C@H](NC(=O)OC(C)(C)C)C1>>[NH2:1][C:2]1[S:6][C:5]([C:7]2[C:12]([F:13])=[CH:11][CH:10]=[CH:9][C:8]=2[F:14])=[N:4][C:3]=1[C:15]([NH:17][C:18]1[CH:19]=[N:20][N:21]([CH3:34])[C:22]=1[N:23]1[CH2:24][CH2:25][CH:26]([NH2:33])[CH2:27][CH:28]([CH3:29])[CH2:32]1)=[O:16]

Participants

Reactant 2

HCID 74983269HCID 74983269, compound

HCID 86680141HCID 86680141, compound

Product 1

HCID 74983271HCID 74983271, compound

Procedure

In the preparation of 448, tert-butyl N-[(4R)-6-methylene-1-(2-methyl-4-nitro-pyrazol-3-yl)azepan-4-yl]carbamate was converted to 453. 1H NMR (400 MHz, DMSO) δ 8.65 (s, 1H), 8.41 (s, 1H), 7.61-7.43 (m, 4H), 7.28 (td, J=8.8, 2.0 Hz, 2H), 3.66 (d, J=3.0 Hz, 4H), 3.33-3.01 (m, 3H), 2.96-2.77 (m, 2H), 2.19-1.58 (m, 4H), 1.49 (dd, J=24.1, 11.2 Hz, 1H), 0.86 (dd, J=15.5, 6.8 Hz, 3H). LCMS (ES+) m/z 462 (M+1)

Sources & evidence

ORD record: ord-350d5aa2d37d487f9d24b084aabc24c3
Source dataset: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08614206B2

Reaction notes

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