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Acetic Acid → 2-Bromo-7-hydroxy-3-(3-methyl-2-buten-1-yl)-3,5,6,7-tetrahydro-imidazo[4,5-c]pyridin-4-one

HRID 302670
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인쇄 미리보기

반응식

HRID 302670 반응식
[Br:2][c:3]1[n:4][c:5]([CH:17]([CH2:18][N+:19]([O-:20])=[O:21])[OH:22])[c:6]([C:13](=[O:14])[O:15][CH3:16])[n:7]1[CH2:8][CH:9]=[C:10]([CH3:11])[CH3:12].[CH3:23][C:24](=[O:25])[OH:26].[CH3:27][CH2:28][OH:29].[Fe:30].[OH2:1]>>[Br:2][c:3]1[n:4][c:5]2[c:6]([n:7]1[CH2:8][CH:9]=[C:10]([CH3:11])[CH3:12])[C:13](=[O:14])[NH:19][CH2:18][CH:17]2[OH:22]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 67435131Methyl 2-bromo-5-(1-hydroxy-2-nitro-ethyl)-3-(3-methyl-2-buten-1-yl)-3H-imidazole-4-carboxylate

생성물 1

HCID 674358652-Bromo-7-hydroxy-3-(3-methyl-2-buten-1-yl)-3,5,6,7-tetrahydro-imidazo[4,5-c]pyridin-4-one

출처 및 근거

ORD 기록
ord-44442df6e86a4569bd6943ac548f79a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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