5-[3-(Tert-butyl-dimethyl-silanyloxy)-4-phenyl-butyl]-pyrrolidin-2-one → 4-{2-[2-(3-Hydroxy-4-phenyl-butyl)-5-oxo-pyrrolidin-1-yl]-ethoxy}-benzoic acid ethyl ester

반응식

[C:1]([Si:2]([CH3:3])([CH3:4])[O:5][CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][CH2:15][CH:16]1[NH:17][C:18](=[O:19])[CH2:20][CH2:21]1)([CH3:22])([CH3:23])[CH3:24].[CH2:25]([CH3:26])[O:27][C:28]([c:29]1[cH:30][cH:31][c:32]([O:35][CH2:36][CH2:37][N:38]2[CH:39]([CH2:44][CH2:45][CH:46]([CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[O:54][Si:55]([C:56]([CH3:57])([CH3:58])[CH3:59])([CH3:60])[CH3:61])[CH2:40][CH2:41][C:42]2=[O:43])[cH:33][cH:34]1)=[O:62]>>[CH2:25]([CH3:26])[O:27][C:28]([c:29]1[cH:30][cH:31][c:32]([O:35][CH2:36][CH2:37][N:38]2[CH:39]([CH2:44][CH2:45][CH:46]([CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[OH:54])[CH2:40][CH2:41][C:42]2=[O:43])[cH:33][cH:34]1)=[O:62]

참가 물질

반응물 2

HCID 129700855-[3-(Tert-butyl-dimethyl-silanyloxy)-4-phenyl-butyl]-pyrrolidin-2-one

HCID 692713194-(2-{2-[3-(Tert-butyl-dimethyl-silanyloxy)-4-phenyl-butyl]-5-oxo-pyrrolidin-1-yl}-ethoxy)-benzoic acid ethyl ester

생성물 1

HCID 692703774-{2-[2-(3-Hydroxy-4-phenyl-butyl)-5-oxo-pyrrolidin-1-yl]-ethoxy}-benzoic acid ethyl ester

출처 및 근거

ORD 기록: ord-ee5521eea8a24d78b3926ca6de7d4215
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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