Hydrochloric Acid → [3-[[1-[4-(4-Chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl] acetate

반응식

[C:22]([CH3:23])(=[O:24])[O:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34]1.[ClH:1].[NH2:2][CH:3]([C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:10][CH2:11]1)[CH:19]([CH3:20])[CH3:21]>>[NH:2]([CH:3]([C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:10][CH2:11]1)[CH:19]([CH3:20])[CH3:21])[C:29]([c:28]1[cH:27][c:26]([O:25][C:22]([CH3:23])=[O:24])[cH:34][cH:33][cH:32]1)=[O:30]

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 2386693-Acetoxybenzoic acid

HCID 578895962-Amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylbutan-1-one

생성물 1

HCID 67300181[3-[[1-[4-(4-Chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl] acetate

출처 및 근거

ORD 기록: ord-d75c3e4eb3e142a0a2eb8a9dbaf187d0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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