4-(4-(Trifluoromethyl)phenyl)piperidine → 1-(1-Naphthoyl)-3-(RS)-(4-(4-trifluoromethylphenyl)piperidinylmethyl)-4-(RS)-(3-thienyl)pyrrolidine

반응식

[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:31][cH:32]1)([F:39])[F:40].[c:1]1([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([CH:23]=[O:24])[CH:16]([c:18]3[cH:19][s:20][cH:21][cH:22]3)[CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([CH2:23][N:36]3[CH2:35][CH2:34][CH:33]([c:30]4[cH:29][cH:28][c:27]([C:26]([F:25])([F:39])[F:40])[cH:32][cH:31]4)[CH2:38][CH2:37]3)[CH:16]([c:18]3[cH:19][s:20][cH:21][cH:22]3)[CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

참가 물질

반응물 2

HCID 124407024-(4-(Trifluoromethyl)phenyl)piperidine

HCID 206943831-(1-Naphthoyl)-3-(SR)-formyl-4-(RS)-thiophen-3-ylpyrrolidine

생성물 1

HCID 183648671-(1-Naphthoyl)-3-(RS)-(4-(4-trifluoromethylphenyl)piperidinylmethyl)-4-(RS)-(3-thienyl)pyrrolidine

출처 및 근거

ORD 기록: ord-0a78ea10085746e1a1fa39c206dda3b5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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