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Hydrochloric Acid → 4-[[1-[2-[5-Chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid

HRID 90568
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HRID 90568 반응식
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Cl:1][c:2]1[c:3]([NH:29][C:30](=[O:31])[c:32]2[cH:33][n:34]([CH3:41])[c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]23)[cH:4][c:5]([F:28])[c:6]([CH2:8][C:9](=[O:10])[N:11]2[CH:12]([CH2:16][O:17][CH:18]3[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[O:26][CH3:27])[CH2:22][CH2:23]3)[CH2:13][CH2:14][CH2:15]2)[cH:7]1.[ClH:49].[Na+:48].[OH-:47]>>[Cl:1][c:2]1[c:3]([NH:29][C:30](=[O:31])[c:32]2[cH:33][n:34]([CH3:41])[c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]23)[cH:4][c:5]([F:28])[c:6]([CH2:8][C:9](=[O:10])[N:11]2[CH:12]([CH2:16][O:17][CH:18]3[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[OH:26])[CH2:22][CH2:23]3)[CH2:13][CH2:14][CH2:15]2)[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67405347Methyl 4-[[1-[2-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate

생성물 1

HCID 67406121
4-[[1-[2-[5-Chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid

출처 및 근거

ORD 기록
ord-17313c0e1fd74ff1b73b15f12d7f473a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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