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Ethylene Glycol → 2-(2-fluoro-4-nitrophenyl)-hexahydro-1H-spiro[cyclopenta[c]pyrrol-5,2'-[1,3]dioxolane]

HRID 99185
노트
인쇄 미리보기

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HRID 99185 반응식
[F:1][c:2]1[c:3]([N:11]2[CH2:12][CH:13]3[CH:14]([CH2:15]2)[CH2:16][C:17](=[O:19])[CH2:18]3)[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[OH2:24].[OH:20][CH2:21][CH2:22][OH:23].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[F:1][c:2]1[c:3]([N:11]2[CH2:12][CH:13]3[CH:14]([CH2:15]2)[CH2:16][C:17]2([CH2:18]3)[O:19][CH2:22][CH2:21][O:20]2)[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 174Ethylene GlycolHCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 711829272-(2-Fluoro-4-nitrophenyl)-5-oxo-hexahydro-cyclopenta[c]pyrrol

생성물 1

HCID 711829442-(2-fluoro-4-nitrophenyl)-hexahydro-1H-spiro[cyclopenta[c]pyrrol-5,2'-[1,3]dioxolane]

출처 및 근거

ORD 기록
ord-7ec8f29acd6e4361b1f7681b70742ab2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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