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Acetic Acid → N-[1-(Cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

HRID 116566
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반응식

HRID 116566 반응식
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[C:46](=[O:47])([OH:48])[O-:49].[CH3:56][C:57](=[O:58])[OH:59].[CH:23]1([CH:30]=[O:31])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[NH:1]1[CH2:2][CH2:3][CH:4]([NH:7][C:8]([C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)=[O:22])[CH2:5][CH2:6]1.[Na+:45].[Na+:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[N:1]1([CH2:30][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[CH2:2][CH2:3][CH:4]([NH:7][C:8]([C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)=[O:22])[CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 8028TetrahydrofuranHCID 77961FormylcycloheptaneHCID 2724942TriacetoxyborohydrideHCID 10662143N-(piperidin-4-yl)-2-cyclopentyl-2-hydroxy-2-phenylacetamide

생성물

1
HCID 10835518N-[1-(Cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

출처 및 근거

ORD 기록
ord-177c123c29fa4f4e9c8603da03e25306
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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