Chloride → (1-Benzyl-1H-imidazol-2-yl)(2,3-dimethylphenyl)methanone

HRID 168435

Reaction equation

HRID 168435 reaction equation
[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[cH:21][n:22][cH:23][cH:24]1.[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[CH3:11].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:36][C:37]#[N:38].[Cl-:12].[S:32]([Cl:33])([Cl:34])=[O:35]>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[c:21]2[n:20]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:24][cH:23][n:22]2)[cH:7][cH:8][cH:9][c:10]1[CH3:11]

Participants

7

Reactant 6

HCID 312ChlorideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 117822,3-Dimethylbenzoic acidHCID 24386Thionyl ChlorideHCID 779181-Benzylimidazole

Product 1

HCID 66771502(1-Benzyl-1H-imidazol-2-yl)(2,3-dimethylphenyl)methanone

Sources & evidence

ORD record
ord-46892a2955c246efa6a0e6d10a598cef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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