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Acetone → Hydrochloric Acid

HRID 164300
Notes
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Reaction equation

HRID 164300 reaction equation
[CH3:21][C:22](=[O:23])[CH3:24].[Cl:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[C:18](=[O:19])[CH3:20].[SH:1][c:2]1[nH:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][cH:9][cH:10]2>>[ClH:11].[S:1]([c:2]1[n:3][c:4]2[c:5]([nH:6]1)[cH:7][cH:8][cH:9][cH:10]2)[CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[C:18](=[O:19])[CH3:20]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 180AcetoneHCID 11858Ethyl 2-chloroacetoacetateHCID 178527775HCID 178527775, compound

Product 2

HCID 313Hydrochloric AcidHCID 12327339Ethyl 2-[(1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate

Sources & evidence

ORD record
ord-ec0b66960fc040b5a29d6e81a6082c5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes