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Dimethylformamide → 1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

HRID 1569772
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인쇄 미리보기

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HRID 1569772 반응식
[C:14](=[O:15])([n:16]1[cH:17][cH:18][n:19][cH:20]1)[n:21]1[cH:22][cH:23][n:24][cH:25]1.[CH3:1][n:2]1[c:3](-[c:7]2[cH:8][cH:9][c:10]([NH2:13])[cH:11][cH:12]2)[n:4][n:5][cH:6]1.[CH3:26][S:27]([OH:28])(=[O:29])=[O:30].[NH2:31][CH2:32][c:33]1[cH:34][c:35]2[c:39]([cH:40][cH:41]1)[C:38](=[O:42])[N:37]([CH:43]1[C:44](=[O:50])[NH:45][C:46](=[O:49])[CH2:47][CH2:48]1)[CH2:36]2.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH3:1][n:2]1[c:3](-[c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[NH:31][CH2:32][c:33]3[cH:34][c:35]4[c:39]([cH:40][cH:41]3)[C:38](=[O:42])[N:37]([CH:43]3[C:44](=[O:50])[NH:45][C:46](=[O:49])[CH2:47][CH2:48]3)[CH2:36]4)[cH:11][cH:12]2)[n:4][n:5][cH:6]1
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참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 682631,1'-CarbonyldiimidazoleHCID 27947854-(4-Methyl-4H-1,2,4-Triazol-3-Yl)AnilineHCID 594432803-(5-(Aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione

생성물 1

HCID 46200744
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

출처 및 근거

ORD 기록
ord-a614b77bf01c4308b50fb61af94f2a21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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