HRID209859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID11401617

Phenyl pyridin-4(1H)-ylidenecarbamate

C12H10N2O2

结构：Nc1cccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1

HCID86638579

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccncc1)Nc1cccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1

HCID59175903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45eef22df1ac4338b8eeec3346c06bc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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