HRID2319902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OCC(CONC(=O)c2c(Cl)c3ccncn3c2Nc2ccc(I)cc2F)O1

HCID178431460

未命名化合物

PRODUCTS

生成物

结构：O=C(NOCC(O)CO)c1c(Cl)c2ccncn2c1Nc1ccc(I)cc1F

HCID178523988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12d69c04d2214cbebdffe56f68c83ec4
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

[CH3:1][C:2]1([CH3:31])[O:3][CH2:4][CH:5]([CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]2[c:13]([Cl:30])[c:14]3[n:15]([cH:16][n:17][cH:18][cH:19]3)[c:20]2[NH:21][c:22]2[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]2)[O:6]1.[CH3:39][C:40]#[N:41].[CH3:42][OH:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[OH:3][CH2:4][CH:5]([OH:6])[CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]1[c:13]([Cl:30])[c:14]2[n:15]([cH:16][n:17][cH:18][cH:19]2)[c:20]1[NH:21][c:22]1[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]1