Tetrahydrofuran → 3-Chloro-N-(6-{4-[3-(isobutyrylamino)phenyl]-1-piperidinyl}hexyl)-4-(isopropylsulfonyl)-2-thiophenecarboxamide

HRID 137972

반응식

HRID 137972 반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Cl:26][c:27]1[c:28]([C:38](=[O:39])[Cl:40])[s:29][cH:30][c:31]1[S:32](=[O:33])(=[O:34])[CH:35]([CH3:36])[CH3:37].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([NH:20][C:21]([CH:22]([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([NH:20][C:21]([CH:22]([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1)[C:38]([c:28]1[c:27]([Cl:26])[c:31]([S:32](=[O:33])(=[O:34])[CH:35]([CH3:36])[CH3:37])[cH:30][s:29]1)=[O:39]

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 27786953-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carbonyl chlorideHCID 16755868N-{3-[1-(6-Aminohexyl)4-piperidinyl]phenyl}-2-methylpropanamide

생성물 1

HCID 220495873-Chloro-N-(6-{4-[3-(isobutyrylamino)phenyl]-1-piperidinyl}hexyl)-4-(isopropylsulfonyl)-2-thiophenecarboxamide

출처 및 근거

ORD 기록
ord-f5b41889219d4aacbae0b2df5a57dbbc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…