Toluene → HCID 178467925, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 2404183-(Ethoxymethylene)pentane-2,4-dione

HCID 198345693-Amino-2,5,6-trichlorobenzoic acid

생성물 1

HCID 178467925HCID 178467925, 화합물

출처 및 근거

ORD 기록: ord-3b035eaf52da48a49ca3305c7ecaae1b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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