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Hydrochloric Acid → 3-(4-(5-Fluoro-2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamido)phenyl)-2-methylpropanoic acid

HRID 700669
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인쇄 미리보기

반응식

HRID 700669 반응식
[CH3:30][OH:31].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[ClH:34].[F:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[NH:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH3:29])[cH:20][cH:21]2)[c:5]2[c:6]([cH:12]1)[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2.[Li+:32].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:33].[OH2:46]>>[F:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[NH:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][CH:23]([C:24](=[O:25])[OH:26])[CH3:29])[cH:20][cH:21]2)[c:5]2[c:6]([cH:12]1)[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ion
HCID 67405616
Ethyl 3-(4-(5-fluoro-2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamido)phenyl)-2-methylpropanoate

생성물 1

HCID 468367693-(4-(5-Fluoro-2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamido)phenyl)-2-methylpropanoic acid

출처 및 근거

ORD 기록
ord-6e4eb80ce19f44d28f5644161724898d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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