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Bicarbonate Ion → N-((1-(2-pivalamidoethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamide

HRID 696991
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반응식

HRID 696991 반응식
[C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])(=[O:36])[Cl:37].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:28][CH2:29][Cl:30].[NH2:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[NH:1]([CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1)[C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 62493Pivaloyl chlorideHCID 57993201N-((1-(2-aminoethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamide

생성물

1
HCID 57993377N-((1-(2-pivalamidoethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamide

출처 및 근거

ORD 기록
ord-03ca11920d684e3188da4d857667232a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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