HRID2340470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6420

Trichloroacetyl chloride

C2Cl4O

HCID8471

Triethylamine

C6H15N

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(F)cc(OC2CCNCC2)c1

HCID68457459

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(F)cc(OC2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1

HCID59420863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d03d435ef4f49789b4fa4ffb929eac9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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