Toluene → 2-chloro-N-(cyclopropylmethyl)-1-mesityl-N-propyl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazole-5-carboxamide

HRID 158762

反応式

HRID 158762 の反応式
[CH2:13]([O:15][C:16](=[O:14])[c:18]1[c:19]([C:36]([F:37])([F:38])[F:39])[n:20][c:21]2[n:22]1[cH:23][c:24]([Cl:35])[n:25]2-[c:26]1[c:27]([CH3:34])[cH:28][c:29]([CH3:33])[cH:30][c:31]1[CH3:32])[CH3:17].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:9][Al:10]([CH3:11])[CH3:12].[CH:1]1([CH2:4][NH:5][CH2:6][CH2:7][CH3:8])[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][N:5]([CH2:6][CH2:7][CH3:8])[C:16](=[O:15])[c:18]2[c:19]([C:36]([F:37])([F:38])[F:39])[n:20][c:21]3[n:22]2[cH:23][c:24]([Cl:35])[n:25]3-[c:26]2[c:27]([CH3:34])[cH:28][c:29]([CH3:33])[cH:30][c:31]2[CH3:32])[CH2:2][CH2:3]1

参加物

5

反応物 4

HCID 1140TolueneHCID 117787Cyclopropanemethanamine, N-propyl-HCID 16682925TrimethylaluminumHCID 207802236-Chloro-2-trifluoromethyl-7-(2,4,6-trimethyl-phenyl)-7H-imidazo[1,2-a]imidazole-3-carboxylic Acid Ethyl Ester

生成物 1

HCID 207800092-chloro-N-(cyclopropylmethyl)-1-mesityl-N-propyl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazole-5-carboxamide

出典と根拠

ORDレコード
ord-2bb7ec349e1a42d6afd8c42c5dda3e4a
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

関連ノート

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