HRID89907

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：Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1OC(F)(F)F

HCID59175861

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccncc1)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1OC(F)(F)F

HCID59175848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c73e4654c1d49e4b3703b8df041bb9a
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

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