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Hydrochloric Acid → 6-[4-({[5-Cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid

HRID 307995
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HRID 307995 반응식
[CH3:47][OH:48].[CH:1]1([c:4]2[c:5]([CH2:17][O:18][c:19]3[cH:20][cH:21][c:22](-[c:25]4[cH:26][c:27]5[cH:28][cH:29][c:30]([C:35](=[O:36])[O:37][CH3:38])[n:31][c:32]5[cH:33][cH:34]4)[cH:23][cH:24]3)[c:6](-[c:9]3[c:10]([Cl:16])[cH:11][n:12][cH:13][c:14]3[Cl:15])[n:7][o:8]2)[CH2:2][CH2:3]1.[ClH:46].[Na+:45].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:44]>>[CH:1]1([c:4]2[c:5]([CH2:17][O:18][c:19]3[cH:20][cH:21][c:22](-[c:25]4[cH:26][c:27]5[cH:28][cH:29][c:30]([C:35](=[O:36])[OH:37])[n:31][c:32]5[cH:33][cH:34]4)[cH:23][cH:24]3)[c:6](-[c:9]3[c:10]([Cl:16])[cH:11][n:12][cH:13][c:14]3[Cl:15])[n:7][o:8]2)[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59321467Methyl 6-[4-({[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylate

생성물 1

HCID 59321465
6-[4-({[5-Cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid

출처 및 근거

ORD 기록
ord-3a56c2569fb04477b5e2da5d7147730f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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