Hydrochloric Acid → 1-[1-(1-Benzoylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-3-[3,5-bis(trifluoromethyl)phenyl]-1,3-dimethylurea

HRID 177194

반응식

HRID 177194 반응식
[C:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)(=[O:42])[N:43]1[CH2:44][CH2:45][CH:46]([C:49](=[O:50])[OH:51])[CH2:47][CH2:48]1.[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH:20]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:21][NH:22][CH2:23][CH2:24]2)[CH3:32])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:33])[F:34]>>[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH:20]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:21][N:22]([C:49]([CH:46]3[CH2:45][CH2:44][N:43]([C:35]([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)=[O:42])[CH2:48][CH2:47]3)=[O:50])[CH2:23][CH2:24]2)[CH3:32])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:33])[F:34]

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 789351-Benzoylpiperidine-4-carboxylic acidHCID 1234012351-[3,5-Bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea

생성물 1

HCID 1238123391-[1-(1-Benzoylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-3-[3,5-bis(trifluoromethyl)phenyl]-1,3-dimethylurea

출처 및 근거

ORD 기록
ord-d1e40f5dce1140cc9f4c774bd10f6e9e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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