Benzyl 3-aminopropanoate → Benzyl 3-[[2-(acetylsulfanylmethyl)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate

반응식

[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][C:6]([C:7](=[O:8])[OH:9])=[CH:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1.[NH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][C:6]([C:7](=[O:9])[NH:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[CH:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1

참가 물질

반응물 2

HCID 1116164Benzyl 3-aminopropanoate

HCID 541106752-(Acetylsulfanylmethyl)-3-(4-methoxyphenyl)prop-2-enoic acid

생성물 1

HCID 53695736Benzyl 3-[[2-(acetylsulfanylmethyl)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate

출처 및 근거

ORD 기록: ord-4c4e9238cf3c4c5a9b353764bfdd340d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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