HRID180390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID11127564

1-(3-BROMOPHENYL)CYCLOPROPANAMINE

C9H10BrN

结构：CC(C)(C)OC(=O)c1ccc(Nc2nc(Cl)nc(OCC(F)(F)F)n2)cc1

HCID86652471

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(Nc2nc(NC3(c4cccc(Br)c4)CC3)nc(OCC(F)(F)F)n2)cc1

HCID67074285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-641fe957441b4c9a88dc71d73a49a354
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:28][c:29]1[cH:30][c:31]([C:35]2([NH2:38])[CH2:36][CH2:37]2)[cH:32][cH:33][cH:34]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1>>[c:2]1([NH:38][C:35]2([c:31]3[cH:30][c:29]([Br:28])[cH:34][cH:33][cH:32]3)[CH2:36][CH2:37]2)[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1