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

HRID 133950
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HRID 133950 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[CH2:20][NH:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33].[c:34]1([C:40](=[O:41])[N:42]2[CH2:43][CH2:44][CH:45]([C:48](=[O:49])[OH:50])[CH2:46][CH2:47]2)[cH:35][cH:36][cH:37][cH:38][cH:39]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[CH2:20][N:21]([C:48]([CH:45]3[CH2:44][CH2:43][N:42]([C:40]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)=[O:41])[CH2:47][CH2:46]3)=[O:49])[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]
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반응물 3

HCID 313Hydrochloric AcidHCID 789351-Benzoylpiperidine-4-carboxylic acidHCID 1237750161-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

생성물 1

HCID 1233579801-[1-(1-Benzoylpiperidine-4-carbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-3-[3,5-bis(trifluoromethyl)phenyl]-1,3-dimethylurea

출처 및 근거

ORD 기록
ord-3a23f00887ab4795ba93a6bf977ee3f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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