HRID1220449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

HCID75269

Acetic acid, anhydride with formic acid

C3H4O3

HCID18423008

未命名化合物

PRODUCTS

生成物

HCID18423066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ef979d0398845ebbbabb61bd1803b9d
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

[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH2:48]([Cl:49])[Cl:50].[CH3:1][C:2]([O:3][C:5]([CH3:4])=[O:7])=[O:6].[CH:35]([O:36][CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[CH:51]([OH:52])=[O:53].[CH:8]([O:9][C:10](=[O:11])[CH3:12])=[O:13].[NH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([CH2:22][N:23]2[CH2:24][CH2:25][N:26]([c:29]3[n:30][cH:31][cH:32][cH:33][n:34]3)[CH2:27][CH2:28]2)[cH:20][cH:21]1>>[CH:5](=[O:7])[NH:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([CH2:22][N:23]2[CH2:24][CH2:25][N:26]([c:29]3[n:30][cH:31][cH:32][cH:33][n:34]3)[CH2:27][CH2:28]2)[cH:20][cH:21]1