HRID2159730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID46835219

4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide

C13H12FN3O2

结构：CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)c1

HCID59234717

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2F)c1

HCID59234716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b2a8cec50894a61aacd2bab7951f2f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30]2)[c:8]([NH:10][C:11](=[O:12])[O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9]1.[CH2:50]([N:51]([CH2:52][CH3:53])[CH2:54][CH3:55])[CH3:56].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[NH2:31][c:32]1[c:33]([F:49])[cH:34][c:35]([O:36][c:37]2[cH:38][c:39]([C:43](=[O:44])[NH:45][CH3:46])[n:40][cH:41][cH:42]2)[cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30]2)[c:8]([NH:10][C:11](=[O:12])[NH:31][c:32]2[c:33]([F:49])[cH:34][c:35]([O:36][c:37]3[cH:38][c:39]([C:43](=[O:44])[NH:45][CH3:46])[n:40][cH:41][cH:42]3)[cH:47][cH:48]2)[cH:9]1