HCID 86700405, compound → HCID 86700410, compound

HRID 879595Notes

Reaction equation

[C:1]([O:5][C@@H:6]([C:10]1[C:32]([CH3:33])=[CH:31][C:13]2[N:14]=[C:15]([N:17]3[CH2:22][CH2:21][O:20][C:19]([C:24]4[CH:29]=[CH:28][C:27](Cl)=[CH:26][CH:25]=4)(C)[CH2:18]3)[S:16][C:12]=2[C:11]=1[C:34]1[CH:39]=[CH:38][C:37]([Cl:40])=[CH:36][CH:35]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].[CH3:41][N:42]1C2C(=CC(C3OCCNC3)=CC=2)[CH:44]=[N:43]1>>[C:1]([O:5][C@@H:6]([C:10]1[C:32]([CH3:33])=[CH:31][C:13]2[N:14]=[C:15]([N:17]3[CH2:22][CH2:21][O:20][CH:19]([C:24]4[CH:25]=[C:26]5[C:27](=[CH:28][CH:29]=4)[N:43]([CH3:44])[N:42]=[CH:41]5)[CH2:18]3)[S:16][C:12]=2[C:11]=1[C:34]1[CH:39]=[CH:38][C:37]([Cl:40])=[CH:36][CH:35]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2]

Participants

Reactant 2

HCID 86700405HCID 86700405, compound

HCID 86700408HCID 86700408, compound

Product 1

HCID 86700410HCID 86700410, compound

Procedure

(2S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(2-(1-methyl-1H-indazol-5-yl)morpholino)benzo[d]thiazol-6-yl)acetic acid was prepared using the similar procedure as (2S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-2-methylmorpholino)-5-methylbenzo[d]thiazol-6-yl)acetic acid except 2-(1-methyl-1H-indazol-5-yl)morpholine was used instead of 2-(4-chlorophenyl)-2-methylmorpholine. LCMS-ESI+: calc'd for C32H33ClN4O4S: 605.2, 607.2 (M+H+); found: 605.3, 607.3 (M+H+). 1H-NMR: 400 MHz, (CD3OD) δ: 7.99 (s, 1H), 7.82 (s, 1H), 7.62 (d, J=7.6 Hz, 1H), 7.49-7.56 (m, 5H), 7.32 (s, 1H), 5.13 (s, 1H), 4.72 (d, J=7.2 Hz, 1H), 4.11 (m, 2H), 4.05 (s, 3H), 3.85 (m, 2H), 3.35 (m, 1H), 3.30 (t, J=12 Hz, 1H), 2.50 (s, 3H), 0.94 (s, 9H).

Sources & evidence

ORD record: ord-b98af019c50845428ac7f6fbc96779a5
Source dataset: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08987250B2

Reaction notes

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