Hydrochloric Acid → 3-[4-(4-Phenoxy-phenyl)-piperazin-1-yl]-propionic acid methyl ester

반응식

[CH3:21][O:22][C:23]([CH2:24][CH2:25][Br:26])=[O:27].[ClH:1].[O:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:13][cH:14]1>>[O:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][N:18]([CH2:25][CH2:24][C:23]([O:22][CH3:21])=[O:27])[CH2:19][CH2:20]2)[cH:13][cH:14]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 76934Methyl 3-bromopropanoate

HCID 30173561-(4-Phenoxyphenyl)piperazine

생성물 1

HCID 574195603-[4-(4-Phenoxy-phenyl)-piperazin-1-yl]-propionic acid methyl ester

출처 및 근거

ORD 기록: ord-8cb7069b852c4237b2f4f0d20c442110
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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