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Sodium Ion → 3-Oxa-tricyclo[3.2.2.02,4]nonane-2-carboxylic acid N-(4-nitro-3-trifluoromethyl-phenyl)-hydrazide

HRID 1237474
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HRID 1237474 반응식
[H-:2].[N+:3](=[O:4])([O-:5])[c:6]1[c:7]([C:24]([F:25])([F:26])[F:27])[cH:8][c:9]([NH:12][C:13](=[O:14])[C:15]23[CH:16]4[CH2:17][CH2:18][CH:19]([CH:20]2[O:21]3)[CH2:22][CH2:23]4)[cH:10][cH:11]1.[Na+:1].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[c:28]1([P:29]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)(=[O:37])[NH:42][OH:30])[cH:38][cH:39][cH:40][cH:41][cH:43]1>>[N+:3](=[O:4])([O-:5])[c:6]1[c:7]([C:24]([F:25])([F:26])[F:27])[cH:8][c:9]([N:12]([C:13](=[O:14])[C:15]23[CH:16]4[CH2:17][CH2:18][CH:19]([CH:20]2[O:21]3)[CH2:22][CH2:23]4)[NH2:42])[cH:10][cH:11]1
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HCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 419256DiphenylphosphinylhydroxylamineHCID 235461863-Oxa-tricyclo[3.2.2.02,4] nonane-2-carboxylic acid (4-nitro-3-trifluoromethyl-phenyl)-amide

생성물 1

HCID 23546187
3-Oxa-tricyclo[3.2.2.02,4]nonane-2-carboxylic acid N-(4-nitro-3-trifluoromethyl-phenyl)-hydrazide

출처 및 근거

ORD 기록
ord-1fed8c561951455facabe5087e86bcd5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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