HRID289126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O

HCID19081122

未命名化合物

HCID86752745

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CC4CC(C3)CC2C4)C1=O

HCID67688125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ade3834769b4af58272c305bd58cc44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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