Hydrochloric Acid → tert-butyl 5-amino-5-oxo-2-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]pentanoate

HRID 163961

반응식

HRID 163961 반응식
[CH3:54][C:55]#[N:56].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:43].[F:44][C:45]([CH:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1)([F:52])[F:53].[NH2:1][C:2]([CH2:3][CH2:4][CH:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[N:13]1[C:14](=[O:32])[c:15]2[cH:16][cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][Cl:31])[cH:28][cH:29]3)[c:20]2[CH2:21]1)=[O:33]>>[NH2:1][C:2]([CH2:3][CH2:4][CH:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[N:13]1[C:14](=[O:32])[c:15]2[cH:16][cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][N:49]4[CH2:48][CH2:47][CH:46]([C:45]([F:44])([F:52])[F:53])[CH2:51][CH2:50]4)[cH:28][cH:29]3)[c:20]2[CH2:21]1)=[O:33]

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 1364694-(Trifluoromethyl)piperidineHCID 67335016tert-butyl 5-amino-2-[7-[[4-(chloromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

생성물 1

HCID 67334942tert-butyl 5-amino-5-oxo-2-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]pentanoate

출처 및 근거

ORD 기록
ord-3846fac4e170465cbdf51af520e87abb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…