HRID169971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID75962

3-(Trifluoromethyl)benzylamine

C8H8F3N

结构：CCOC(=O)c1nc(-c2cc(Br)c(OCc3ccc(OC)cc3)c(Br)c2)no1

HCID57919720

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COc2c(Br)cc(-c3noc(C(=O)NCc4cccc(C(F)(F)F)c4)n3)cc2Br)cc1

HCID57919734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-634d8465cfb947268fcaac8f82eb54d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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