Chloride → 9-(4-Methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid isopropyl amide

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 6363Isopropylamine

HCID 413179-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid

생성물 1

HCID 544978489-(4-Methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid isopropyl amide

출처 및 근거

ORD 기록: ord-b61cccf420fd42d8b071d06b2cd4f124
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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