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Bicarbonate Ion → methyl 4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]hex-4-enoate

HRID 95016
Notes
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Reaction equation

HRID 95016 reaction equation
[C:49](=[O:50])([OH:51])[O-:52].[CH2:54]([Cl:55])[Cl:56].[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:8][S:9](=[O:10])(=[O:11])[C:12]([F:13])([F:14])[F:15])([F:6])[F:7].[Na+:53].[OH:16][c:17]1[c:18]([CH2:39][CH:40]=[C:41]([CH2:42][CH2:43][C:44](=[O:45])[O:46][CH3:47])[CH3:48])[c:19]([O:28][S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[c:20]2[c:24]([c:25]1[CH3:26])[CH2:23][O:22][C:21]2=[O:27].[cH:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1>>[O:8]([S:9](=[O:10])(=[O:11])[C:12]([F:13])([F:14])[F:15])[c:17]1[c:18]([CH2:39][CH:40]=[C:41]([CH2:42][CH2:43][C:44](=[O:45])[O:46][CH3:47])[CH3:48])[c:19]([O:28][S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[c:20]2[c:24]([c:25]1[CH3:26])[CH2:23][O:22][C:21]2=[O:27]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 6344DichloromethaneHCID 67749Trifluoromethanesulfonic anhydrideHCID 57018953methyl 6-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

Product 1

HCID 57257837methyl 4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]hex-4-enoate

Sources & evidence

ORD record
ord-c7f2a1b570c645cb9d1f64b436f4bdf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes