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Sodium Ion → 3'-[4-(2-Tert-butoxycarbonylethyl)phenoxymethyl]biphenyl-2-carboxylic acid

HRID 1213265
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인쇄 미리보기

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HRID 1213265 반응식
[CH3:38][C:39](=[CH:40][CH3:41])[CH3:42].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:59][C:60]([OH:61])([CH3:62])[CH3:63].[CH:1](=[O:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([CH2:15][O:16][c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:21][cH:22]3)[cH:12][cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[Cl+:43]([O-:44])[O-:45].[Na+:32].[Na+:46].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58].[OH:33][P:34](=[O:35])([O-:36])[OH:37]>>[C:1](=[O:2])([c:3]1[c:4](-[c:9]2[cH:10][c:11]([CH2:15][O:16][c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:21][cH:22]3)[cH:12][cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1)[OH:33]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 923Sodium Ion2회HCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 105532-Methyl-2-buteneHCID 197148Chlorite
HCID 23082902HCID 23082902, 화합물

생성물 1

HCID 575418463'-[4-(2-Tert-butoxycarbonylethyl)phenoxymethyl]biphenyl-2-carboxylic acid

출처 및 근거

ORD 기록
ord-e4640d05c41d415ab35497c070f97a43
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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