Acetone → Benzoate

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 243Benzoic Acid

HCID 55122-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol

생성물 2

HCID 242Benzoate

HCID 55122-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol

출처 및 근거

ORD 기록: ord-59e342b8cb6c4f46bc1f035f77e2efb3
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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