Diethyl (ethoxymethylene)malonate → diethyl [N-cyclopropyl-N-[3-(1-piperazinyl)-4-fluoro-5-methyl-6-nitrophenyl]amino-methylene]malonate

HRID 300807

반응식

HRID 300807 반응식
[CH2:22]([O:23][CH:25]=[C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH3:24].[N:1]1([c:7]2[cH:8][c:9]([NH:10][CH:11]3[CH2:12][CH2:13]3)[c:14]([N+:19](=[O:20])[O-:21])[c:15]([CH3:18])[c:16]2[F:17])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[cH:8][c:9]([N:10]([CH:11]3[CH2:12][CH2:13]3)[CH:25]=[C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:14]([N+:19](=[O:20])[O-:21])[c:15]([CH3:18])[c:16]2[F:17])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1

참가 물질

3

반응물 2

HCID 6871Diethyl (ethoxymethylene)malonateHCID 189744953-(1-piperazinyl)-4-fluoro-5-methyl-6-nitro-N-cyclopropylaniline

생성물 1

HCID 19418744diethyl [N-cyclopropyl-N-[3-(1-piperazinyl)-4-fluoro-5-methyl-6-nitrophenyl]amino-methylene]malonate

출처 및 근거

ORD 기록
ord-a4ede645f6d74b51b9d24e00cc948a4a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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