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Bicarbonate Ion → [4-[3-[4-[2-(1-Hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl] trifluoromethanesulfonate

HRID 1114946
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HRID 1114946 반응식
[C:50](=[O:51])([OH:52])[O-:53].[CH2:22]([CH3:23])[C:24]([CH2:25][CH3:26])([c:27]1[cH:28][c:29]([CH3:41])[c:30]([CH:33]=[CH:34][C:35]2([OH:40])[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:31][cH:32]1)[c:42]1[cH:43][c:44]([CH3:49])[c:45]([OH:48])[cH:46][cH:47]1.[Cl:55][CH2:56][Cl:57].[F:7][C:8]([F:9])([F:10])[S:11](=[O:12])(=[O:13])[O:14][S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21].[Na+:54].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[F:7][C:8]([F:9])([F:10])[S:11](=[O:12])(=[O:13])[O:14][c:45]1[c:44]([CH3:49])[cH:43][c:42]([C:24]([CH2:22][CH3:23])([CH2:25][CH3:26])[c:27]2[cH:28][c:29]([CH3:41])[c:30]([CH:33]=[CH:34][C:35]3([OH:40])[CH2:36][CH2:37][CH2:38][CH2:39]3)[cH:31][cH:32]2)[cH:47][cH:46]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 6344DichloromethaneHCID 67749Trifluoromethanesulfonic anhydrideHCID 670652604-[3-[4-[2-(1-Hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenol

생성물 1

HCID 76547989
[4-[3-[4-[2-(1-Hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl] trifluoromethanesulfonate

출처 및 근거

ORD 기록
ord-4358deec6ca04770ba6306b40f1a3db9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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