HRID1550974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc(NN)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O

HCID67128729

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc(NNC(=O)CCl)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O

HCID67128885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0603b9c914f34977b4d715a694148127
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

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