HRID148354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID9967712

未命名化合物

HCID129988754

未命名化合物

PRODUCTS

生成物

结构：C[SiH](C)OC(C#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)(C)C

HCID178504557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c03ddd97adec4edf936c4afcec0b0cb8
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

[C:9]([CH3:10])([CH3:11])([CH3:12])[CH:13]([C:14]#[C:15][C:16](=[O:17])[OH:18])[O:19][SiH:20]([CH3:21])[CH3:22].[CH3:23][N:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[NH2:30][c:31]1[cH:32][c:33]2[c:34]([NH:43][c:44]3[cH:45][c:46]([Br:50])[cH:47][cH:48][cH:49]3)[c:35]([C:41]#[N:42])[cH:36][n:37][c:38]2[cH:39][cH:40]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[cH:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1>>[C:9]([CH3:10])([CH3:11])([CH3:12])[CH:13]([C:14]#[C:15][C:16](=[O:18])[NH:30][c:31]1[cH:32][c:33]2[c:34]([NH:43][c:44]3[cH:45][c:46]([Br:50])[cH:47][cH:48][cH:49]3)[c:35]([C:41]#[N:42])[cH:36][n:37][c:38]2[cH:39][cH:40]1)[O:19][SiH:20]([CH3:21])[CH3:22]