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Acetic Acid → 2-(4-tert-Butoxycarbonyl-2-nitro-benzylidene)-succinic Acid Dimethyl Ester

HRID 310463
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반응식

HRID 310463 반응식
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([c:42]1[cH:43][c:44]([N+:50](=[O:51])[O-:52])[c:45]([CH:48]=[O:49])[cH:46][cH:47]1)=[O:53].[C:58]([O:59][CH2:60][CH3:61])(=[O:62])[CH3:63].[CH3:20][O:21][C:22](=[O:23])[CH:24]=[CH:25][C:26](=[O:27])[O:28][CH3:29].[CH3:54][C:55](=[O:56])[OH:57].[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:20][O:21][C:22](=[O:23])[C:24]([CH2:25][C:26](=[O:27])[O:28][CH3:29])=[CH:48][c:45]1[c:44]([N+:50](=[O:51])[O-:52])[cH:43][c:42]([C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:53])[cH:47][cH:46]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 241BenzeneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 12215Dimethyl but-2-enedioateHCID 865883794-Formyl-3-nitro-benzoic acid tert-butyl ester

생성물 1

HCID 69978038
2-(4-tert-Butoxycarbonyl-2-nitro-benzylidene)-succinic Acid Dimethyl Ester

출처 및 근거

ORD 기록
ord-83c2087d157d449897057ffb9cc7f8c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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