Water → 5-Hydroxy-5-phenylaminomethyl-2-(4-trifluoromethoxy-phenyl)-hexahydro-cyclopenta[c]pyrrol-1-one

반응식

[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[C:11](=[O:20])[CH:12]3[CH:13]([CH2:14]2)[CH2:15][C:16]2([CH2:17]3)[O:18][CH2:19]2)[cH:8][cH:9]1)([F:21])[F:22].[NH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[OH2:30]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[C:11](=[O:20])[CH:12]3[CH:13]([CH2:14]2)[CH2:15][C:16]([OH:18])([CH2:19][NH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:17]3)[cH:8][cH:9]1)([F:21])[F:22]

참가 물질

반응물 3

HCID 962Water

HCID 6115Aniline

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

생성물 1

HCID 710085985-Hydroxy-5-phenylaminomethyl-2-(4-trifluoromethoxy-phenyl)-hexahydro-cyclopenta[c]pyrrol-1-one

출처 및 근거

ORD 기록: ord-27b253a29d2e4ba6a28e1edd0becf8a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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