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Hydrochloric Acid → Hydrochloric Acid

HRID 90101
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HRID 90101 반응식
[C:40](=[O:41])([O-:42])[O-:43].[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].[I:35][CH2:36][C:37](=[O:38])[NH2:39].[K+:44].[K+:45].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[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][N:22]([CH2:36][C:37](=[O:38])[NH2:39])[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 물질출처 및 근거반응 노트

참가 물질

9

반응물 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 3727IodoacetamideHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1234012351-[3,5-Bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea

생성물 2

HCID 313Hydrochloric AcidHCID 1234212302-[4-[[[3,5-Bis(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-(4-fluorophenyl)piperidin-1-yl]acetamide

출처 및 근거

ORD 기록
ord-bf93b5c6072e4b1887bc7e4544b81cdc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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