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Citric Acid → Ethyl 3-[1-benzyloxy-3-(isoamyloxycarbonyl)cyclobutan-3-yl]-4-nitrobutanoate

HRID 145821
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HRID 145821 반응식
[C:28]1([C:29]2=[CH:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]2)=[N:49][NH:48][CH2:47][CH2:46][CH2:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH2:10][C:11]([C:13](=[O:14])[O:15][CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])([CH:21]=[CH:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:12]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[N+:69](=[O:70])([O-:71])[CH3:72].[OH:50][C:51]([CH2:52][C:53]([C:54](=[O:55])[OH:56])([CH2:57][C:58](=[O:59])[OH:60])[OH:61])=[O:62]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH2:10][C:11]([C:13](=[O:14])[O:15][CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])([CH:21]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:72][N+:69](=[O:70])[O-:71])[CH2:12]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 311Citric AcidHCID 6375NitromethaneHCID 8857Ethyl AcetateHCID 536302743-(Cycloundecen-1-yl)-1,2-diazacycloundec-2-eneHCID 909744423-Methylbutyl 1-(3-ethoxy-3-oxoprop-1-enyl)-3-phenylmethoxycyclobutane-1-carboxylate

생성물 1

HCID 18427813
Ethyl 3-[1-benzyloxy-3-(isoamyloxycarbonyl)cyclobutan-3-yl]-4-nitrobutanoate

출처 및 근거

ORD 기록
ord-01a4eb34e0eb46cdb5d0eb2bc8549de9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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