Acetonitrile → 3-(Isopropyl-methyl-amino)-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione

HRID 90832

반응식

[CH3:19][NH:20][CH:21]([CH3:22])[CH3:23].[CH3:24][C:25]#[N:26].[CH:1]([O:2][c:5]1[c:6](=[O:18])[c:7](=[O:17])[c:8]1-[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1)([CH3:3])[CH3:4]>>[c:5]1([N:20]([CH3:19])[CH:21]([CH3:22])[CH3:23])[c:6](=[O:18])[c:7](=[O:17])[c:8]1-[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 78485N-Methylisopropylamine

HCID 147378433-Isopropoxy-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione

생성물 1

HCID 98816173-(Isopropyl-methyl-amino)-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione

출처 및 근거

ORD 기록: ord-19551d6c86624aab8313437675f68582
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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