Toluene → 2-Cyano-3-(2-methyl-4-nitrophenyl)acrylic Acid Ethyl Ester

HRID 93019

반응식

HRID 93019 반응식
[CH2:12]([O:13][CH:15]=[C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[C:22]#[N:23])[CH3:14].[CH3:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([N+:9](=[O:10])[O-:11])[cH:8]1.[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][c:2]1[c:3]([CH:15]=[C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[C:22]#[N:23])[cH:5][cH:6][c:7]([N+:9](=[O:10])[O-:11])[cH:8]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 74412-Methyl-4-nitroanilineHCID 789432-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester

생성물 1

HCID 543550972-Cyano-3-(2-methyl-4-nitrophenyl)acrylic Acid Ethyl Ester

출처 및 근거

ORD 기록
ord-93a0e51ee3b34b0ab34f6c8743d9ae7b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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