HRID696554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID75452

4-Methoxybenzylamine

C8H11NO

HCID81531

Diisopropylethylamine

C8H19N

结构：FC(F)(F)c1ccc(-c2cc(C(F)(F)F)c(Br)nn2)cc1

HCID86608021

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nnc(-c3ccc(C(F)(F)F)cc3)cc2C(F)(F)F)cc1

HCID86608020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e94f207b87cc4ddbb7e571c21e42ac3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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