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Hydrochloric Acid → ({4-[(2-(Ethyloxy)-1-{6-[4-(trifluoromethyl)phenyl]-2-pyridinyl}ethyl)thio]-2-methylphenyl}oxy)acetic acid

HRID 1150467
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HRID 1150467 반응식
[CH2:1]([CH3:2])[O:3][CH2:4][CH:5]([c:6]1[n:7][c:8](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:9][cH:10][cH:11]1)[S:22][c:23]1[cH:24][c:25]([CH3:36])[c:26]([O:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:27][cH:28]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][OH:46].[ClH:39].[Na+:38].[OH-:37]>>[CH2:1]([CH3:2])[O:3][CH2:4][CH:5]([c:6]1[n:7][c:8](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:9][cH:10][cH:11]1)[S:22][c:23]1[cH:24][c:25]([CH3:36])[c:26]([O:29][CH2:30][C:31](=[O:32])[OH:33])[cH:27][cH:28]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 58629824Ethyl ({4-[(2-(ethyloxy)-1-{6-[4-(trifluoromethyl)phenyl]-2-pyridinyl}ethyl)thio]-2-methylphenyl}oxy)acetate

생성물 1

HCID 10097139
({4-[(2-(Ethyloxy)-1-{6-[4-(trifluoromethyl)phenyl]-2-pyridinyl}ethyl)thio]-2-methylphenyl}oxy)acetic acid

출처 및 근거

ORD 기록
ord-21ef39dedae94ef6aeec8151934f2b1e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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