HRID1151055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8454

N-Methylpyrrolidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2315787

3-Amino-5-(trifluoromethyl)pyridin-2(1H)-one

C6H5F3N2O

结构：C=C(C)OC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)cc1F

HCID66729122

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)c[nH]c4=O)c(F)c3)ccn2)cn1

HCID66729150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-963873059ec54f769e9db921b54f8c63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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