HRID2349248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

结构：COCC1Cc2c(OCc3ccccc3)cc(C(=O)OC(C)(C)C)cc2O1

HCID59560092

未命名化合物

结构：CN(C)C(=O)c1ccc(Oc2cc(C(=O)OC(C)(C)C)cc3c2CC(CO)O3)cc1

HCID59560128

未命名化合物

PRODUCTS

生成物

结构：COCC1Cc2c(Oc3ccc(C(=O)N(C)C)cc3)cc(C(=O)OC(C)(C)C)cc2O1

HCID59560296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cd7bd61444443288032adf0b01b8369
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]2[c:11]([c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:19]1)[CH2:12][CH:13]([CH2:15][O:16][CH3:17])[O:14]2.[C:28]([O:29][C:30]([c:31]1[cH:32][c:33]([O:34][c:47]2[cH:48][cH:49][c:50]([C:53]([N:54]([CH3:55])[CH3:56])=[O:57])[cH:51][cH:52]2)[c:35]2[c:41]([cH:42]1)[O:40][CH:37]([CH2:38][OH:39])[CH2:36]2)=[O:43])([CH3:44])([CH3:45])[CH3:46].[CH3:58][I:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]2[c:11]([c:18]([O:20][c:47]3[cH:48][cH:49][c:50]([C:53]([N:54]([CH3:55])[CH3:56])=[O:57])[cH:51][cH:52]3)[cH:19]1)[CH2:12][CH:13]([CH2:15][O:16][CH3:17])[O:14]2