HRID1558764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13981373

Fluoro(iodo)methane

CH2FI

结构：CC(NC(=O)C(C)(C)Oc1cc(C(F)(F)F)ccn1)C(Cc1ccc(O)cc1)c1cccc(C#N)c1

HCID68656876

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(C)(C)Oc1cc(C(F)(F)F)ccn1)C(Cc1ccc(OCF)cc1)c1cccc(C#N)c1

HCID68657426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f498897dfad4cebb63148b8539f7ee0
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

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