HRID2350553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID67924

Ethyl trifluoromethanesulphonate

C3H5F3O3S

结构：CC(=O)C1=C(C)Nc2cc[nH]c(=O)c2C1c1cccc2c(=O)cc(C)oc12

HCID59603009

未命名化合物

PRODUCTS

生成物

结构：CCOc1nccc2c1C(c1cccc3c(=O)cc(C)oc13)C(C(C)=O)=C(C)N2

HCID24798328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-685526feb9da43c78043a5a5a585872c
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])(=[O:3])[C:4]1=[C:5]([CH3:27])[NH:6][c:7]2[cH:8][cH:9][nH:10][c:11](=[O:26])[c:12]2[CH:13]1[c:14]1[cH:15][cH:16][cH:17][c:18]2[c:19](=[O:25])[cH:20][c:21]([CH3:24])[o:22][c:23]12.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:38][OH:39].[F:28][C:29]([F:30])([F:31])[S:32]([O:33][CH2:34][CH3:35])(=[O:36])=[O:37]>>[C:1]([CH3:2])(=[O:3])[C:4]1=[C:5]([CH3:27])[NH:6][c:7]2[cH:8][cH:9][n:10][c:11]([O:26][CH2:34][CH3:35])[c:12]2[CH:13]1[c:14]1[cH:15][cH:16][cH:17][c:18]2[c:19](=[O:25])[cH:20][c:21]([CH3:24])[o:22][c:23]12