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Ethanol → 3-[[3-(3,5-dimethylpiperazine-1-carbonyl)-5-methyl-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one

HRID 1229467
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HRID 1229467 반응식
[CH2:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:18][CH:19]1[CH2:20][N:21]([C:26](=[O:27])[c:28]2[c:29]([CH:34]=[O:35])[nH:30][c:31]([CH3:33])[cH:32]2)[CH2:22][CH:23]([CH3:25])[NH:24]1.[CH3:42][CH2:43][OH:44].[F:1][c:2]1[c:3](-[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[NH:12][C:11](=[O:17])[CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3](-[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[NH:12][C:11](=[O:17])[C:10]3=[CH:34][c:29]2[c:28]([C:26]([N:21]3[CH2:20][CH:19]([CH3:18])[NH:24][CH:23]([CH3:25])[CH2:22]3)=[O:27])[cH:32][c:31]([CH3:33])[nH:30]2)[cH:4][cH:5][cH:6][cH:7]1
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참가 물질

5

반응물 4

HCID 702EthanolHCID 8082PiperidineHCID 225617513-(3,5-dimethylpiperazine-1-carbonyl)-5-methyl-1H-pyrrole-2-carbaldehydeHCID 225618744-(2-Fluorophenyl)-1,3-dihydro-indol-2-one

생성물 1

HCID 697425973-[[3-(3,5-dimethylpiperazine-1-carbonyl)-5-methyl-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one

출처 및 근거

ORD 기록
ord-6296f29621d14174b4b29999f5863688
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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