Toluene → methyl-3-[3-(4-isopropylphenyl)-2,5-DIOXO-imidazolidin-1-yl]-benzoate

HRID 1211125

반응식

HRID 1211125 반응식
[CH3:1][O:2][C:3]([CH2:4][NH:5][c:6]1[cH:7][cH:8][c:9]([CH:12]([CH3:13])[CH3:14])[cH:10][cH:11]1)=[O:15].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[N:16](=[C:17]=[O:18])[c:19]1[cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27][cH:28]1>>[C:3]1(=[O:15])[CH2:4][N:5]([c:6]2[cH:7][cH:8][c:9]([CH:12]([CH3:13])[CH3:14])[cH:10][cH:11]2)[C:17](=[O:18])[N:16]1[c:19]1[cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27][cH:28]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 2733366Methyl 3-isocyanatobenzoateHCID 22669181Methyl-2-(4-isopropylanilino)acetate

생성물 1

HCID 66603600methyl-3-[3-(4-isopropylphenyl)-2,5-DIOXO-imidazolidin-1-yl]-benzoate

출처 및 근거

ORD 기록
ord-6711284a5d2c424c8783f60c925b76e1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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