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Hydrochloric Acid → 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(2,6-dioxopiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea

HRID 94790
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HRID 94790 반응식
[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].[O:35]=[C:36]1[NH:37][C:38](=[O:45])[CH2:39][CH:40]([C:42](=[O:43])[OH:44])[CH2:41]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][N:22]([C:42]([CH:40]3[CH2:39][C:38](=[O:45])[NH:37][C:36](=[O:35])[CH2:41]3)=[O:43])[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]
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반응물 3

HCID 313Hydrochloric AcidHCID 2370262,6-Dioxo-4-piperidinecarboxylic acidHCID 1234012351-[3,5-Bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea

생성물 1

HCID 1237710461-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(2,6-dioxopiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea

출처 및 근거

ORD 기록
ord-29c685f8add749a6b05643e0c917ebc3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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