Chloride → 4,4-Dimethyl-7-(cyclopropylcarbonyl-amino)-8-nitro-2H,4H-isoquinoline-1,3-dione

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 15655Cyclopropanecarboxylic acid

HCID 118331714,4-dimethyl-7-acetamino-8-nitro-2H,4H-isoquinoline-1,3-dione

생성물 1

HCID 203849294,4-Dimethyl-7-(cyclopropylcarbonyl-amino)-8-nitro-2H,4H-isoquinoline-1,3-dione

출처 및 근거

ORD 기록: ord-2ec15328b322459fb33aae2531e1fa21
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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