3-Morpholinobenzaldehyde → HCID 178513994, 화합물

반응식

FC(F)(F)C(O)=O.[Cl:8][C:9]1[C:10]([NH:31][C@@H:32]2[C@@H:37]3[CH2:38][C@@H:34]([CH:35]=[CH:36]3)[C@@H:33]2[C:39]([NH2:41])=[O:40])=[C:11]2[N:17]=[C:16]([C:18]3[CH:23]=[CH:22][C:21](CN4CCOCC4)=[CH:20][CH:19]=3)[NH:15][C:12]2=[N:13][CH:14]=1.NC1C(N)=C(N[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(N)=O)C(Cl)=CN=1.[N:62]1(C2C=C(C=CC=2)C=O)[CH2:67][CH2:66][O:65][CH2:64][CH2:63]1>>[Cl:8][C:9]1[C:10]([NH:31][C@H:32]2[C@H:37]3[CH2:38][C@H:34]([CH:35]=[CH:36]3)[C@H:33]2[C:39]([NH2:41])=[O:40])=[C:11]2[N:17]=[C:16]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([N:62]4[CH2:67][CH2:66][O:65][CH2:64][CH2:63]4)[CH:19]=3)[NH:15][C:12]2=[N:13][CH:14]=1

참가 물질

반응물 3

HCID 71645843-Morpholinobenzaldehyde

HCID 117701849(1R,2R,3S,4S)-3-(2,3-Diamino-5-chloro-pyridin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

HCID 178513995HCID 178513995, 화합물

생성물 1

HCID 178513994HCID 178513994, 화합물수율 11%

실험 절차

In the same fashion as for Compound III, (1R,2R,3S,4S)-3-(2,3-Diamino-5-chloro-pyridin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide and 3-Morpholin-4-yl-benzaldehyde were reacted to produce the title compound (11%). 1H NMR (d-chloroform): 16.12 (br s, 1H), 8.42 (d, J=9 Hz, 1H), 7.83 (s, 1H), 7.74 (s, 1H), 7.64 (d, J=8 Hz, 1H), 7.44 (t, J=8 Hz, 1H), 7.07 (d, J=8 Hz, 1H), 6.50 (m, 1H), 6.42 (m, 1H), 5.90 (br s, 1H), 5.65 (br s, 1H), 5.40 (t, J=8 Hz, 1H), 3.94 (m, 4H), 3.34 (m, 4H), 3.18 (s, 1H), 3.07 (s, 1H), 2.69 (d, J=8 Hz, 1H), 2.33 (d, J=9 Hz, 1H), 1.69 (d, J=9 Hz, 1H). MS: 465.15 (M+H). HPLC retention time: 2.39 minutes (G Method).