HRID1567956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ncn3)c(F)c2)ccn1

HCID16214898

未命名化合物

HCID16655129

4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide

C13H13N3O2

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ncn3)cc2)ccn1

HCID23634270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bf7d63f37f74b1b91b013407c5e360e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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