HRID178693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID10479501

未命名化合物

HCID53436880

Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

C9H7F3INO2

PRODUCTS

产物

HCID59164449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-600ce5f5ba2b42c48f6cb7b32205efc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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