Thiophenol → 3-{4-[2-(tert-Butoxycarbonyl-heptyl-amino)-ethyl]-phenyl}-2-phenylsulfanyl-propionic Acid Ethyl Ester

HRID 85772

반응식

HRID 85772 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][N:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][cH:12]1)[OH:30])=[O:31].[CH2:39][CH3:40].[SH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][N:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:11][cH:12]1)[S:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:31]

참가 물질

4

반응물 3

HCID 7969ThiophenolHCID 123138EthylHCID 698837723-{4-[2-(Tert-butoxycarbonyl-heptyl-amino)-ethyl]-phenyl}-2-hydroxy-propionic acid ethyl ester

생성물 1

HCID 698839233-{4-[2-(tert-Butoxycarbonyl-heptyl-amino)-ethyl]-phenyl}-2-phenylsulfanyl-propionic Acid Ethyl Ester

출처 및 근거

ORD 기록
ord-e6db4e66cb794347a2ef600b286dbb9a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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