HRID158199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1117

Sulfate

O4S-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OCC(CONC(=O)c2ncc3cncn3c2Nc2ccc(I)cc2F)O1

HCID72526892

未命名化合物

PRODUCTS

生成物

结构：O=C(NOCC(O)CO)c1ncc2cncn2c1Nc1ccc(I)cc1F

HCID74931151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4995ac529d648e9870a8c224f2bbb22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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