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Dimethylformamide → alpha-Cyano-3-phenoxybenzyl 2-(3-benzothienyl)-3-methylbutanoate

HRID 100244
Notes
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Reaction equation

HRID 100244 reaction equation
[C:22](#[N:23])[CH:24]([c:25]1[cH:26][c:27]([O:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:28][cH:29][cH:30]1)[OH:38].[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:17][S:18]([OH:19])(=[O:20])=[O:21].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[s:1]1[cH:2][c:3]([CH:10]([C:11](=[O:12])[OH:13])[CH:14]([CH3:15])[CH3:16])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[cH:2][c:3]([CH:10]([C:11](=[O:12])[O:13][CH:24]([C:22]#[N:23])[c:25]2[cH:26][c:27]([O:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:28][cH:29][cH:30]2)[CH:14]([CH3:15])[CH3:16])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 93218Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-HCID 537164122-(1-Benzothiophen-3-yl)-3-methylbutanoic acid

Product 1

HCID 54429257alpha-Cyano-3-phenoxybenzyl 2-(3-benzothienyl)-3-methylbutanoate

Sources & evidence

ORD record
ord-7dd05a439d4347ddbac94df782df2469
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