HRID2339961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID15413

Methyl tert-butyl ether

C5H12O

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)O

HCID12054399

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N=C1OC(=O)c2c(I)cccc21

HCID12054400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32a04707efd34ef1ae7351e7a7420738
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:45]([O:46][CH3:47])([CH3:48])([CH3:49])[CH3:50].[F:31][C:32]([F:33])([F:34])[C:35]([O:36][C:37](=[O:38])[C:39]([F:40])([F:41])[F:42])=[O:43].[I:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:11](=[O:12])[NH:13][c:14]2[c:15]([CH3:30])[cH:16][c:17]([C:20]([C:21]([F:22])([F:23])[F:24])([C:25]([F:26])([F:27])[F:28])[F:29])[cH:18][cH:19]2)[c:7]1[C:8](=[O:9])[OH:10].[OH2:44]>>[I:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:9])[O:12][C:11]2=[N:13][c:14]1[c:15]([CH3:30])[cH:16][c:17]([C:20]([C:21]([F:22])([F:23])[F:24])([C:25]([F:26])([F:27])[F:28])[F:29])[cH:18][cH:19]1