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Sodium Ion → 5-Cyano-6-(2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid

HRID 173325
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인쇄 미리보기

반응식

HRID 173325 반응식
[C:1](#[N:2])[CH:3]([CH:4]([CH2:5][CH2:6][C:7](=[O:8])[OH:9])[CH:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1)[P:16]([O:17][CH2:18][CH3:19])([O:20][CH2:21][CH3:22])=[O:23].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[H-:24].[N+:26](=[O:27])([O-:28])[c:29]1[c:30]([CH:31]=[O:32])[cH:33][c:34]([O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:35][cH:36]1.[Na+:25]>>[C:1](#[N:2])[C:3]([CH:4]([CH2:5][CH2:6][C:7](=[O:8])[OH:9])[CH:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1)=[CH:31][c:30]1[c:29]([N+:26](=[O:27])[O-:28])[cH:36][cH:35][c:34]([O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:33]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 166653HydrideHCID 442030822-Nitro-5-phenoxybenzaldehydeHCID 594281685-Cyano-5-(diethoxy-phosphoryl)-4-(tetrahydro-pyran-4-yl)-pentanoic acid

생성물 1

HCID 672694525-Cyano-6-(2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid

출처 및 근거

ORD 기록
ord-395b74aa289b449b8fb85e2083ec668a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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