Toluene → Methyl 2-chloro-7-(1-ethylpropyl)-1-methyl-1H-benzimidazole-4-carboxylate

HRID 1126999Notes

Reaction equation

HRID 1126999 reaction equation
[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:17](=[O:18])[O:19][CH3:20])[c:10]2[c:11]1[n:12]([CH3:16])[c:13](=[O:15])[nH:14]2.[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[P:21]([Cl:22])([Cl:23])([Cl:24])=[O:25]>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:17](=[O:18])[O:19][CH3:20])[c:10]2[c:11]1[n:12]([CH3:16])[c:13]([Cl:23])[n:14]2

Participants

4

Reactant 3

HCID 1140TolueneHCID 24813Phosphorus oxychlorideHCID 67271829methyl 7-(1-ethylpropyl)-1-methyl-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate

Product 1

HCID 67273217Methyl 2-chloro-7-(1-ethylpropyl)-1-methyl-1H-benzimidazole-4-carboxylate

Sources & evidence

ORD record
ord-963176f087dd4de3b933190c11ffc6c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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