Benzene → 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)-N-methyl-N-octadecylacetamide

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:17])[c:7]([CH3:16])[c:8]([CH2:12][C:13](=[O:14])[Cl:15])[c:9]([CH3:11])[cH:10]1.[CH3:18][NH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:17])[c:7]([CH3:16])[c:8]([CH2:12][C:13](=[O:14])[N:19]([CH3:18])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:9]([CH3:11])[cH:10]1

참가 물질

반응물 3

HCID 241Benzene

HCID 75539N-Methyloctadecylamine

HCID 203458974-tert.-Butyl-2,6-dimethyl-3-hydroxyphenylacetyl chloride

생성물 1

HCID 203459492-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)-N-methyl-N-octadecylacetamide

출처 및 근거

ORD 기록: ord-c4303919f46645758daa9804695588a5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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