HRID1572206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID944

Nitric Acid

HNO3

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

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

PRODUCTS

生成物

结构：CC1C(c2cc(C(F)(F)F)cc([N+](=O)[O-])c2I)OC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178422038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cae039518e1b4474b5d329087a00d653
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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