Ethanol → 8-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylideneamino)-3-ethoxycarbonylquinoline

반응식

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[c:10]([NH2:16])[cH:11][cH:12][cH:13][c:14]2[cH:15]1.[CH3:17][C:18]1([CH3:29])[O:19][C:20](=[O:28])[C:21](=[CH:25][O:26][CH3:27])[C:22](=[O:24])[O:23]1.[CH3:30][CH2:31][OH:32]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[c:10]([N:16]=[C:21]3[C:20](=[O:28])[O:19][C:18]([CH3:17])([CH3:29])[O:23][C:22]3=[O:24])[cH:11][cH:12][cH:13][c:14]2[cH:15]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 1521115-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

HCID 21250128Ethyl 8-aminoquinoline-3-carboxylate

생성물 1

HCID 212500558-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylideneamino)-3-ethoxycarbonylquinoline

출처 및 근거

ORD 기록: ord-53968d7127b541d8bb6b99455ea8a31c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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