Hydrochloric Acid → {4-[3-(3,4,5-Trimethoxy-phenyl)-propionyl]piperazin-1-yl}-acetic acid

HRID 1224207

반응식

HRID 1224207 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH2:13][CH2:14][c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]2)=[O:27])[CH2:10][CH2:11]1)=[O:28].[CH3:32][OH:33].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[ClH:31].[Na+:30].[OH-:29]>>[O:3]=[C:4]([CH2:5][N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH2:13][CH2:14][c:15]2[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]2)=[O:27])[CH2:10][CH2:11]1)[OH:28]

참가 물질

7

출처 및 근거

ORD 기록
ord-d0c7c7eba6df47ca88a4fc2284259a5f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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