Isopropanol → Methyl 4-(((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-2-methoxybenzoate

HRID 143497

반응식

HRID 143497 반응식
[CH3:14][C:15]1([CH3:26])[O:16][C:17](=[O:25])[C:18](=[CH:22][O:23][CH3:24])[C:19](=[O:21])[O:20]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([NH2:6])[cH:7][cH:8][c:9]1[C:10](=[O:11])[O:12][CH3:13].[CH:27]([OH:28])([CH3:29])[CH3:30]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:6][CH:22]=[C:18]2[C:17](=[O:25])[O:16][C:15]([CH3:14])([CH3:26])[O:20][C:19]2=[O:21])[cH:7][cH:8][c:9]1[C:10](=[O:11])[O:12][CH3:13]

참가 물질

4

반응물 3

HCID 3776IsopropanolHCID 1521115-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dioneHCID 168705Methyl 4-amino-o-anisate

생성물 1

HCID 22646557Methyl 4-(((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-2-methoxybenzoate

출처 및 근거

ORD 기록
ord-8df83fb40f1f4c808b1a8f73b65044e4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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