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Chloride → Methyl 4-(3,4,5,6-tetramethoxy-2-methylbenzyl)-2-(3-pyridyl)benzoate

HRID 321862
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HRID 321862 반응식
[CH2:43]([OH:44])[CH2:45][CH2:46][OH:47].[CH3:1][O:2][c:3]1[c:4]([CH3:34])[c:5]([CH2:6][c:7]2[cH:8][c:9]([O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24])[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]2)[c:25]([O:32][CH3:33])[c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cl-:42].[Li+:41].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[n:48]1[cH:49][c:50]([B:54]([OH:55])[OH:56])[cH:51][cH:52][cH:53]1>>[CH3:1][O:2][c:3]1[c:4]([CH3:34])[c:5]([CH2:6][c:7]2[cH:8][c:9](-[c:50]3[cH:49][n:48][cH:53][cH:52][cH:51]3)[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]2)[c:25]([O:32][CH3:33])[c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 312ChlorideHCID 923Sodium Ion2회HCID 1140TolueneHCID 8857Ethyl AcetateHCID 104421,3-PropanediolHCID 19660Carbonate IonHCID 28486Lithium CationHCID 27343783-Pyridinylboronic acid
HCID 11237521Methyl 4-(3,4,5,6-tetramethoxy-2-methylbenzyl)-2-(trifluoromethanesulfonyl)oxybenzoate

생성물 1

HCID 21919158Methyl 4-(3,4,5,6-tetramethoxy-2-methylbenzyl)-2-(3-pyridyl)benzoate

출처 및 근거

ORD 기록
ord-3ac005d7ba10406dabfb4d1685f53b66
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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