HRID2322437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8083

Morpholine

C4H9NO

结构：CC(OP(=O)(Oc1ccccc1)Oc1ccccc1)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(Cc3ccccc3)SC21

HCID54246939

未命名化合物

PRODUCTS

生成物

结构：CC(=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(Cc3ccccc3)SC21)N1CCOCC1

HCID70504214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f57d5ff4acf49e98ebf7497e5b327df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:49]1[CH2:50][O:51][CH2:52][CH2:53][NH:54]1.[CH3:56][C:57]#[N:58].[OH2:55].[P:1]([O:2][C:18](=[C:19]([C:20](=[O:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1)[N:33]1[CH:34]2[S:35][C:36]([CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[N:37][CH:38]2[C:39]1=[O:40])[CH3:48])([O:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)([O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17]>>[C:18](=[C:19]([C:20](=[O:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1)[N:33]1[CH:34]2[S:35][C:36]([CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[N:37][CH:38]2[C:39]1=[O:40])([CH3:48])[N:54]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1