HCID 74983269, compound → HCID 74983270, compound

HRID 1915945Notes

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:8]([F:14])=[CH:9][CH:10]=[CH:11][C:12]=2[F:13])=[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][C@H:26]([NH2:33])[CH2:27][C:28](=[CH2:29])[CH2:32]1)=[O:16]

Participants

Reactant 2

HCID 74983269HCID 74983269, compound

HCID 86680141HCID 86680141, compound

Product 1

HCID 74983270HCID 74983270, 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 449. 1H NMR (400 MHz, DMSO) δ 8.73 (s, 1H), 7.56 (s, 1H), 7.55-7.41 (m, 3H), 7.26 (t, J=8.7 Hz, 2H), 4.89 (d, J=9.7 Hz, 2H), 3.86-3.71 (m, 2H), 3.67 (s, 3H), 3.16-3.05 (m, 1H), 3.05-2.92 (m, 1H), 2.85 (s, 1H), 2.44-2.28 (m, 1H), 1.82-1.69 (m, 2H), 1.53-1.35 (m, 1H). LCMS (ES+) m/z 460 (M+1)

Sources & evidence

ORD record: ord-33f01d3c677343c89148bcbde381b8bf
Source dataset: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08614206B2

Reaction notes

Loading…