Toluene → 2-[4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-benzylidene]-malonic acid diethyl ester

반응식

[C:19]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])(=[O:26])[O:27][CH2:28][CH3:29].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][N:8]([c:11]1[cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]1)[CH2:9][CH2:10]2>>[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][N:8]([c:11]1[cH:12][cH:13][c:14]([CH:15]=[C:20]([C:19](=[O:26])[O:27][CH2:28][CH3:29])[C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:17][cH:18]1)[CH2:9][CH2:10]2

참가 물질

반응물 3

HCID 1140Toluene

HCID 7761Diethyl Malonate

HCID 27643354-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)benzaldehyde

생성물 1

HCID 696550422-[4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-benzylidene]-malonic acid diethyl ester

출처 및 근거

ORD 기록: ord-45729ac234e0463fa2da56cd978d9b6b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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