HRID209166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15458

tert-Butyl acrylate

C7H12O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(OCc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1-c1ccccc1

HCID68813737

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2ccc(C3CCN(CCC(=O)OC(C)(C)C)CC3)cc2)ccc1-c1ccccc1

HCID68812218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8989d32bc8fa4c5aae30c77b228b4817
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([CH2:20][O:21][c:22]3[cH:23][c:24]([CH3:34])[c:25](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:44]([CH:45]=[CH2:46])(=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52].[CH3:63][OH:64].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:53][CH2:54][Cl:55].[F:56][C:57]([F:58])([F:59])[C:60]([OH:61])=[O:62]>>[N:8]1([CH2:46][CH2:45][C:44](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([CH2:20][O:21][c:22]3[cH:23][c:24]([CH3:34])[c:25](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1