HRID1565429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7971

3-Pyridinol

C5H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(CO)C1

HCID23531039

4-(1,1-Dimethylethyl) 1-(phenylmethyl) 2-(hydroxymethyl)-1,4-piperazinedicarboxylate

C18H26N2O5

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(COc2cccnc2)C1

HCID59671575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc67805b58414d8fbf6dfe3dcb9929bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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