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Acetic Acid → 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-(5-nitro-1H-benzimidazol-2(3H)-ylidene)acetonitrile

HRID 118874
Notes
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Reaction equation

HRID 118874 reaction equation
[C:13](#[N:14])[CH:15]([C:16]([O:17][CH2:18][CH3:19])=[O:20])[c:21]1[n:22][c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][c:25]([CH3:27])[n:26]1.[CH3:32][C:33](=[O:34])[OH:35].[ClH:12].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([NH2:11])[c:7]([NH2:10])[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:8][cH:9]1)[NH:10][C:16](=[C:15]([C:13]#[N:14])[c:21]1[n:22][c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][c:25]([CH3:27])[n:26]1)[NH:11]2
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 51117914-Nitro-1,2-phenylenediamineHCID 66593643Ethyl 2-cyano-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetate

Product 1

HCID 665933582-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-(5-nitro-1H-benzimidazol-2(3H)-ylidene)acetonitrile

Sources & evidence

ORD record
ord-9cfcccdd3c1e40faae083f9db87ecf0f
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