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Dimethyl Sulfoxide → 4-(4-Isopropyl-piperazin-1-yl)-2-methyl-7-nitro-2,3-dihydro-isoindol-1-one

HRID 119788
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HRID 119788 반응식
[C:16](=[O:17])([O-:18])[O-:19].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:38][S:39]([CH3:40])=[O:41].[CH:29]([CH3:30])([CH3:31])[N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[F:1][c:2]1[c:3]2[c:7]([c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1)[C:6](=[O:14])[N:5]([CH3:15])[CH2:4]2.[K+:20].[K+:21].[OH2:42]>>[c:2]1([N:35]2[CH2:34][CH2:33][N:32]([CH:29]([CH3:30])[CH3:31])[CH2:37][CH2:36]2)[c:3]2[c:7]([c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1)[C:6](=[O:14])[N:5]([CH3:15])[CH2:4]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 962WaterHCID 8471TriethylamineHCID 19660Carbonate IonHCID 780131-IsopropylpiperazineHCID 598492024-Fluoro-2-methyl-7-nitroisoindolin-1-one

생성물 1

출처 및 근거

ORD 기록
ord-f8d4a18955b645179534d93b1a1ddb4b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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HCID 59849209
4-(4-Isopropyl-piperazin-1-yl)-2-methyl-7-nitro-2,3-dihydro-isoindol-1-one