HRID1537571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：CCOC(=O)c1c(C)nc2c(ccn2Cc2cccc(F)c2F)c1O

HCID178469182

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C)nc2c(ccn2Cc2cccc(F)c2F)c1I

HCID71209259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a33eb7ce541466d928abde3689fd8e3
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

[CH3:58][C:59]#[N:60].[ClH:49].[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([CH3:20])[c:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[c:13]3[OH:14])[cH:21][cH:22][cH:23][c:24]1[F:25].[F:32][C:33]([S:34]([O:35][S:36]([C:37]([F:38])([F:39])[F:40])(=[O:41])=[O:42])(=[O:43])=[O:44])([F:45])[F:46].[I-:48].[Na+:47].[Na+:50].[Na+:51].[O-:52][S:53]([O-:54])(=[S:55])=[O:56].[OH2:57].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([CH3:20])[c:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[c:13]3[I:48])[cH:21][cH:22][cH:23][c:24]1[F:25]