HRID94747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2737744

5-Amino-2-(trifluoromethyl)pyridine

C6H5F3N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cc2nc(Nc3c(C)cccc3Cl)[nH]c2c2c1OC(C)(C)C2

HCID178496983

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)c3c(c2[nH]1)CC(C)(C)O3

HCID178425054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f1f0bc6451242d185efb50ffb5522da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][Al:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24]([O:26][CH3:25])=[O:27])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([NH2:36])[cH:34][n:35]1)([F:37])[F:38]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:26])[NH:36][c:33]2[cH:32][cH:31][c:30]([C:29]([F:28])([F:37])[F:38])[n:35][cH:34]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1