HRID320911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7456

Methylparaben

C8H8O3

HCID166653

Hydride

H-

结构：CC(C)(C)CC1CN(C(=O)Cl)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76776161

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OC(=O)N2CC(CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)cc1

HCID67337314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e90660ab1ed4f31a1a50b0abafdf361
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:14][c:15]1[cH:16][cH:17][c:18]2[c:22]([cH:23]1)[NH:21][C:20](=[O:24])[C:19]21[CH:25]([c:37]2[c:38]([F:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]2)[N:26]([C:34](=[O:35])[Cl:36])[CH2:27][CH:28]1[CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33].[H-:13].[Na+:12].[OH2:45].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1)[C:34]([N:26]1[CH:25]([c:37]2[c:38]([F:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]2)[C:19]2([c:18]3[cH:17][cH:16][c:15]([Cl:14])[cH:23][c:22]3[NH:21][C:20]2=[O:24])[CH:28]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:27]1)=[O:35]