HRID1237865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID639145

methyl 3-formylbenzoate

C9H8O3

结构：Cc1nc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1N

HCID67528046

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(CN(C)c2ccc(OCc3c(C(C)C)cnn3-c3ccccc3OC(F)(F)F)nc2C)c1

HCID67527997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b0ee790659642e29131c4abd9e2ceea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:42]=[O:43].[CH3:30][O:31][C:32]([c:33]1[cH:34][c:35]([CH:39]=[O:40])[cH:36][cH:37][cH:38]1)=[O:41].[CH3:44][OH:45].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH2:20][O:21][c:22]2[cH:23][cH:24][c:25]([NH2:29])[c:26]([CH3:28])[n:27]2)[n:6](-[c:9]2[c:10]([O:15][C:16]([F:17])([F:18])[F:19])[cH:11][cH:12][cH:13][cH:14]2)[n:7][cH:8]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH2:20][O:21][c:22]2[cH:23][cH:24][c:25]([N:29]([CH2:39][c:35]3[cH:34][c:33]([C:32]([O:31][CH3:30])=[O:41])[cH:38][cH:37][cH:36]3)[CH3:42])[c:26]([CH3:28])[n:27]2)[n:6](-[c:9]2[c:10]([O:15][C:16]([F:17])([F:18])[F:19])[cH:11][cH:12][cH:13][cH:14]2)[n:7][cH:8]1