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Bicarbonate Ion → rac-(3aR,5S,6aS)-2-[4-(trifluoromethoxy)phenyl]hexahydro-1H-spiro[cyclopenta[c]pyrrole-5,2'-oxiran]-1-one

HRID 2313217
노트
인쇄 미리보기

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HRID 2313217 반응식
[CH2:1]=[C:2]1[CH2:3][CH:4]2[CH:5]([C:6](=[O:20])[N:7]([c:9]3[cH:10][cH:11][c:12]([O:15][C:16]([F:17])([F:18])[F:19])[cH:13][cH:14]3)[CH2:8]2)[CH2:21]1.[Cl:38][CH2:39][Cl:40].[Na+:37].[O-:33][C:34]([OH:35])=[O:36].[OH:22][O:23][C:24]([c:25]1[cH:26][c:27]([Cl:28])[cH:29][cH:30][cH:31]1)=[O:32]>>[CH2:1]1[C:2]2([CH2:3][CH:4]3[CH:5]([C:6](=[O:20])[N:7]([c:9]4[cH:10][cH:11][c:12]([O:15][C:16]([F:17])([F:18])[F:19])[cH:13][cH:14]4)[CH2:8]3)[CH2:21]2)[O:22]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 866739185-Methylene-2-(4-trifluoromethoxy-phenyl)-hexahydro-cyclopenta[c]pyrrol-1-one

생성물 1

HCID 86673919rac-(3aR,5S,6aS)-2-[4-(trifluoromethoxy)phenyl]hexahydro-1H-spiro[cyclopenta[c]pyrrole-5,2'-oxiran]-1-one

출처 및 근거

ORD 기록
ord-8308d3f6e06643ee9c5a7b3224f4953f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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