HRID1118781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID8028

Tetrahydrofuran

C4H8O

HCID23994

Zinc

结构：COC(=O)C(CC(C)C)N(C(=O)OCC(Cl)(Cl)Cl)c1nonc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22236221

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)Nc1nonc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22235792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e91410e4f08446fab4f99a72fe045a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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