HRID96525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CC(=O)OCC(C)n1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)c(F)c3)c(C3CC3)ccc2c1=O

HCID66649341

未命名化合物

PRODUCTS

生成物

结构：CC(CO)n1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)c(F)c3)c(C3CC3)ccc2c1=O

HCID58973984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb2db4426cbc4574afd1d9e3654383a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:36])[c:10]2[cH:11][cH:12][c:13]([CH:33]3[CH2:34][CH2:35]3)[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([F:31])[c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][OH:44].[K+:41].[K+:42].[OH2:45]>>[OH:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:36])[c:10]2[cH:11][cH:12][c:13]([CH:33]3[CH2:34][CH2:35]3)[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([F:31])[c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1