HRID1565246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：COc1ccc(CCNc2cc(-c3ccc(F)c(CN)c3)nc(OC)n2)cc1

HCID53323152

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)NCc1cc(-c2cc(NCCc3ccc(OC)cc3)nc(OC)n2)ccc1F

HCID57636096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72a617ff11274df6bbd497eb1f17b568
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

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