HRID148228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID78113

Diethyl (3-aminopropyl)phosphonate

C7H18NO3P

结构：COc1cccc(N(C)C)c1CN1CCC(Nc2nc(Cl)nc3ccccc23)CC1

HCID58006255

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CCCNc1nc(NC2CCN(Cc3c(OC)cccc3N(C)C)CC2)c2ccccc2n1)OCC

HCID58006204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6a72028d33a49b3902e2976e138b8fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:12][CH:13]2[CH2:14][CH2:15][N:16]([CH2:19][c:20]3[c:21]([N:28]([CH3:29])[CH3:30])[cH:22][cH:23][cH:24][c:25]3[O:26][CH3:27])[CH2:17][CH2:18]2)[n:11]1.[NH2:31][CH2:32][CH2:33][CH2:34][P:35]([O:36][CH2:37][CH3:38])([O:39][CH2:40][CH3:41])=[O:42]>>[c:2]1([NH:31][CH2:32][CH2:33][CH2:34][P:35]([O:36][CH2:37][CH3:38])([O:39][CH2:40][CH3:41])=[O:42])[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:12][CH:13]2[CH2:14][CH2:15][N:16]([CH2:19][c:20]3[c:21]([N:28]([CH3:29])[CH3:30])[cH:22][cH:23][cH:24][c:25]3[O:26][CH3:27])[CH2:17][CH2:18]2)[n:11]1