查数据/反应详情

HRID103993

反应详情

EQUATION

反应方程式

HRID 103993 的结构方程式

REACTANTS

反应物

2

结构：FC(F)(F)Oc1ccc(Br)cc1

1-Bromo-4-(trifluoromethoxy)benzene

C7H4BrF3O

结构：Cc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)(C)C2

未命名化合物

PRODUCTS

生成物

1

结构：Cc1c(C)c(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(C)c2c1OC(C)(C)C2

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9578eebf4fed44fdb124ee561dbdf486
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:21][c:22]1[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]1.[CH3:1][C:2]1([CH3:20])[O:3][c:4]2[c:5]([c:7]([CH3:19])[c:8]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[c:9]([CH3:12])[c:10]2[CH3:11])[CH2:6]1>>[CH3:1][C:2]1([CH3:20])[O:3][c:4]2[c:5]([c:7]([CH3:19])[c:8]([N:13]3[CH2:14][CH2:15][N:16]([c:22]4[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]4)[CH2:17][CH2:18]3)[c:9]([CH3:12])[c:10]2[CH3:11])[CH2:6]1

AIchem 开放数据计划：mail@huagongshe.com