HRID2333116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID6344

Dichloromethane

CH2Cl2

HCID21983

Methyl(phenyl)phosphinic chloride

C7H8ClOP

结构：CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCN4CCOCC4)ccc3n2C(=O)OC(C)(C)C)c2cc(O)ccc21

HCID57562455

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCN4CCOCC4)ccc3n2C(=O)OC(C)(C)C)c2cc(OP(C)(=O)c3ccccc3)ccc21

HCID68843358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e75904f4d4c34127aa84bce46459a6a3
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

[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[n:23]1[n:24][c:25](-[c:33]2[n:34]([C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:35]3[cH:36][cH:37][c:38]([O:42][CH2:43][CH2:44][N:45]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[cH:39][c:40]3[cH:41]2)[c:26]2[cH:27][c:28]([OH:32])[cH:29][cH:30][c:31]12.[CH3:6][P:7](=[O:8])([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[Cl:15].[Cl:58][CH2:59][Cl:60].[nH:1]1[cH:2][cH:3][n:4][cH:5]1>>[CH3:6][P:7](=[O:8])([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:32][c:28]1[cH:27][c:26]2[c:25](-[c:33]3[n:34]([C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:35]4[cH:36][cH:37][c:38]([O:42][CH2:43][CH2:44][N:45]5[CH2:46][CH2:47][O:48][CH2:49][CH2:50]5)[cH:39][c:40]4[cH:41]3)[n:24][n:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[c:31]2[cH:30][cH:29]1