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Sodium Ion → 5-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)-6-nitrobenzofuran-5-yl)-2-methoxybenzoic acid

HRID 666798
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HRID 666798 반응식
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:24]2[cH:25][cH:26][c:27]([O:34][CH3:35])[c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33]2)[c:19]([N+:21](=[O:22])[O-:23])[cH:20]3)[cH:6][cH:7]1.[Na+:37].[OH-:36]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:24]2[cH:25][cH:26][c:27]([O:34][CH3:35])[c:28]([C:29](=[O:30])[OH:31])[cH:33]2)[c:19]([N+:21](=[O:22])[O-:23])[cH:20]3)[cH:6][cH:7]1
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참가 물질

5

반응물 4

HCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67957912Methyl 5-(2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-nitrobenzofuran-5-yl)-2-methoxybenzoate

생성물 1

HCID 679582765-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)-6-nitrobenzofuran-5-yl)-2-methoxybenzoic acid

출처 및 근거

ORD 기록
ord-4ac2a2bf73d8467d85057656eb3ee770
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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