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

반응식

[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

참가 물질

반응물 3

HCID 1140Toluene

HCID 24813Phosphorus oxychloride

HCID 67271829methyl 7-(1-ethylpropyl)-1-methyl-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate

생성물 1

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

출처 및 근거

ORD 기록: ord-963176f087dd4de3b933190c11ffc6c9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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