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Bicarbonate Ion → [4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-acetonitrile

HRID 2343776
Notes
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Reaction equation

HRID 2343776 reaction equation
[C-:33]#[N:34].[C:19](=[O:20])([OH:21])[O-:22].[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:24][CH2:25][O:26][C:27](=[O:28])[CH3:29].[CH3:30][C:31]#[N:32].[Cl:1][CH2:2][c:3]1[c:4]([CH3:18])[n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[s:7]1.[Na+:23]>>[CH2:2]([c:3]1[c:4]([CH3:18])[n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[s:7]1)[C:31]#[N:32]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 5975CyanideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 27830065-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole

Product 1

HCID 23614503[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-acetonitrile

Sources & evidence

ORD record
ord-d70eed492266459ab44cdbac52cfc7ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes