Trifluoroacetic acid → (3RS,cis)-4-[1-(4-Phenyl-cyclohexyl)-pyrrolidine-3-sulfonyl]-phenol

반응식

[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH:8]1[CH2:9][CH:10]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[CH2:11][CH2:12]1.[c:23]1([CH:29]2[CH2:30][CH2:31][C:32](=[O:35])[CH2:33][CH2:34]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[N:8]1([CH:32]2[CH2:31][CH2:30][CH:29]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:34][CH2:33]2)[CH2:9][CH:10]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[CH2:11][CH2:12]1

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 786054-Phenylcyclohexanone

HCID 184257724-Pyrrolidin-3-ylsulfonylphenol

생성물 1

HCID 10293479(3RS,cis)-4-[1-(4-Phenyl-cyclohexyl)-pyrrolidine-3-sulfonyl]-phenol

출처 및 근거

ORD 기록: ord-253a67f94f4b48acaf1cec2bf09b8eb0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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