HRID158762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID117787

Cyclopropanemethanamine, N-propyl-

C7H15N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12

HCID20780223

6-Chloro-2-trifluoromethyl-7-(2,4,6-trimethyl-phenyl)-7H-imidazo[1,2-a]imidazole-3-carboxylic Acid Ethyl Ester

C18H17ClF3N3O2

PRODUCTS

生成物

结构：CCCN(CC1CC1)C(=O)c1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12

HCID20780009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bb7ec349e1a42d6afd8c42c5dda3e4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[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