HRID113595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID12052

Silane, triethyl-

C6H16Si

HCID84468

Trifluoroacetate

C2F3O2-

结构：C#CCNC(=O)c1ccccc1Nc1ccc2c(C(=O)NC)nn(C3CCCCO3)c2c1

HCID23577872

未命名化合物

PRODUCTS

生成物

结构：C#CCNC(=O)c1ccccc1Nc1ccc2c(C(=O)NC)n[nH]c2c1

HCID11725239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe7e059d5b624b788f445f8d14a2faa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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