Bicarbonate Ion → trifluoromethanesulfonic acid 4-{1-ethyl-1-[4-(1-hydroxy-cyclopentylethynyl)-3-methyl-phenyl]-propyl}-2-methyl-phenyl Ester

HRID 1123721Notes

Reaction equation

HRID 1123721 reaction equation
[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]([C:33]#[C: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]([C:33]#[C: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

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 6344DichloromethaneHCID 67749Trifluoromethanesulfonic anhydrideHCID 574833964-{1-Ethyl-1-[4-(1-hydroxy-cyclopentylethynyl)-3-methyl-phenyl]-propyl}-2-methyl-phenol

Product 1

HCID 57709191trifluoromethanesulfonic acid 4-{1-ethyl-1-[4-(1-hydroxy-cyclopentylethynyl)-3-methyl-phenyl]-propyl}-2-methyl-phenyl Ester

Sources & evidence

ORD record
ord-4f2d67c33bb64528805ef8d521973b72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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