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Carbonate Ion → methyl 3-phenyl-2-[(6-{5-phenyl-1-[4-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}-2-naphthyl)oxy]propanoate

HRID 100562
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HRID 100562 반응식
[C:54](=[O:55])([O-:56])[O-:57].[CH3:34][O:35][C:36]([CH:37]([CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[O:45][S:46]([C:47]([F:48])([F:49])[F:50])(=[O:51])=[O:52])=[O:53].[Cs+:58].[Cs+:59].[c:1]1(-[c:7]2[cH:8][cH:9][c:10](-[c:23]3[cH:24][c:25]4[cH:26][cH:27][c:28]([OH:33])[cH:29][c:30]4[cH:31][cH:32]3)[n:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][cH:9][c:10](-[c:23]3[cH:24][c:25]4[cH:26][cH:27][c:28]([O:33][CH:37]([C:36]([O:35][CH3:34])=[O:53])[CH2:38][c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:29][c:30]4[cH:31][cH:32]3)[n:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
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HCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 13388932alpha-(Trifluoromethylsulfonyloxy)hydrocinnamic acid methyl esterHCID 184390346-{5-phenyl-1-[4-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}-2-naphthol

생성물 1

HCID 18439045methyl 3-phenyl-2-[(6-{5-phenyl-1-[4-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}-2-naphthyl)oxy]propanoate

출처 및 근거

ORD 기록
ord-d0d0f4f3936e4dd9a93b677fdaf12b29
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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