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Acetic Acid → {1-Dimethylcarbamoyl-2-[4-(5-hydroxycarbamoyl-pyridin-2-yloxy)-phenyl]-ethyl}-carbamic acid tert-butyl ester

HRID 2314635
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인쇄 미리보기

반응식

HRID 2314635 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[n:17][cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:25][cH:26]1)[C:27]([N:28]([CH3:29])[CH3:30])=[O:31].[CH3:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:42][C:43](=[O:44])[OH:45].[ClH:39].[NH2:40][OH:41].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[n:17][cH:18][c:19]([C:20](=[O:22])[NH:40][OH:41])[cH:23][cH:24]2)[cH:25][cH:26]1)[C:27]([N:28]([CH3:29])[CH3:30])=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 691138456-[4-(2-Tert-butoxycarbonylamino-2-dimethylcarbamoyl-ethyl)-phenoxy]-nicotinic acid

생성물 1

HCID 72575122
{1-Dimethylcarbamoyl-2-[4-(5-hydroxycarbamoyl-pyridin-2-yloxy)-phenyl]-ethyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-b1b38aa94232424ebc785e9646c055ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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