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Water → 1-(Morpholin-4-ylcarbonyl)-N-(2-oxo-2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

HRID 2347347
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HRID 2347347 반응식
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:49][CH2:50][Cl:51].[NH2:39][CH2:40][C:41](=[O:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([C:29](=[O:30])[OH:31])[CH2:16][CH:17]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:18]2)[CH2:9][CH2:10]1.[OH2:52].[S:1]([Cl:2])([Cl:3])=[O:4]>>[O:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([C:29](=[O:30])[NH:39][CH2:40][C:41](=[O:42])[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH2:16][CH:17]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:18]2)[CH2:9][CH2:10]1
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반응물 6

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 11952PhenacylamineHCID 24386Thionyl ChlorideHCID 580024471-(Morpholin-4-ylcarbonyl)-5-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid

생성물 1

HCID 58002276
1-(Morpholin-4-ylcarbonyl)-N-(2-oxo-2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

출처 및 근거

ORD 기록
ord-c24a10171745471fb73642ef80238b17
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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