Hydrochloric Acid → 2-[3-Methyl-4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]acetic acid

반응식

[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([c:13]2[cH:14][cH:15][c:16]([C:19](=[O:20])[NH:21][c:22]3[c:23]([CH3:33])[cH:24][c:25]([O:26][CH2:27][C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[cH:17][cH:18]2)[CH2:11][CH2:12]1)[CH3:34].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[ClH:35]>>[NH:7]1[CH2:8][CH2:9][N:10]([c:13]2[cH:14][cH:15][c:16]([C:19](=[O:20])[NH:21][c:22]3[c:23]([CH3:33])[cH:24][c:25]([O:26][CH2:27][C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[cH:17][cH:18]2)[CH2:11][CH2:12]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8857Ethyl Acetate

HCID 541756292-(4-(4-(4-(1,1-Dimethylethoxycarbonyl)piperazin-1-yl)phenylcarbonylamino)-3-methylphenoxy)acetic acid

생성물 1

HCID 536495432-[3-Methyl-4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]acetic acid

출처 및 근거

ORD 기록: ord-cbcc795603d748d198d649451dd86901
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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