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Isopropanol → 4-Methyl-3-(1-methylindol-3-yl)pentanal

HRID 157334
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HRID 157334 반응식
[CH2:25]([CH:26]1[NH:27][CH:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[N:33]([CH3:34])[C:35]1=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:1][CH:2]([CH:3]=[CH:4][CH:5]=[O:6])[CH3:7].[CH3:8][n:9]1[cH:10][cH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH:46]([OH:47])([CH3:48])[CH3:49].[Cl:43][CH2:44][Cl:45].[F:18][C:19]([F:20])([F:21])[C:22]([OH:23])=[O:24]>>[CH3:1][CH:2]([CH:3]([CH2:4][CH:5]=[O:6])[c:11]1[cH:10][n:9]([CH3:8])[c:17]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)[CH3:7]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 117811-MethylindoleHCID 214582-Pentenal, 4-methyl-HCID 46817245-Benzyl-2-tert-butyl-3-methylimidazolidin-4-one

생성물 1

HCID 234962944-Methyl-3-(1-methylindol-3-yl)pentanal

출처 및 근거

ORD 기록
ord-5bfa31d8fc424575bbf030ccf23daf64
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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