HRID2320395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID122573

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

HCID166653

Hydride

H-

HCID59135136

未命名化合物

PRODUCTS

生成物

结构：CC1C(c2cc(C(F)(F)F)ccc2I)OC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178422006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c97a199dbd6c417ca689adebbcb2abd8
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

[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[F:21][C:22]([c:23]1[cH:24][c:25]([CH2:26][Br:27])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[H-:19].[I:1][c:2]1[c:3]([CH:12]2[CH:13]([CH3:18])[NH:14][C:15](=[O:17])[O:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[Na+:20].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:48]>>[I:1][c:2]1[c:3]([CH:12]2[CH:13]([CH3:18])[N:14]([CH2:26][c:25]3[cH:24][c:23]([C:22]([F:21])([F:35])[F:36])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28]3)[C:15](=[O:17])[O:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1