HRID2333132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID9005

Trimethoxymethane

C4H10O3

HCID58110014

未命名化合物

PRODUCTS

产物

HCID58110105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-97f2c3937b1b45e89a9cd7fbb3142358
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

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