HRID2125766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7915

Isopropyl acetate

C5H10O2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID185694

2-Fluoro-4-iodoaniline

C6H5FIN

HCID3280088

未命名化合物

结构：Cn1c(=O)c(F)c(Cl)c2c(=O)n(CC3COC(C)(C)O3)cnc21

HCID67378565

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(CC3COC(C)(C)O3)cnc21

HCID67368880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5a03a2f3be745c48baa41005057a9a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:48]([O:49][CH:50]([CH3:51])[CH3:52])(=[O:53])[CH3:54].[CH3:38][Si:39]([CH3:40])([CH3:41])[N-:42][Si:43]([CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[c:3]([F:23])[c:4](=[O:22])[n:5]([CH3:21])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH:14]3[O:15][C:16]([CH3:19])([CH3:20])[O:17][CH2:18]3)[c:10](=[O:12])[c:11]12.[F:24][c:25]1[c:26]([NH2:27])[cH:28][cH:29][c:30]([I:32])[cH:31]1.[Li+:47].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[c:2]1([NH:27][c:26]2[c:25]([F:24])[cH:31][c:30]([I:32])[cH:29][cH:28]2)[c:3]([F:23])[c:4](=[O:22])[n:5]([CH3:21])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH:14]3[O:15][C:16]([CH3:19])([CH3:20])[O:17][CH2:18]3)[c:10](=[O:12])[c:11]12