HRID680172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756041

4-(N-Boc-aminomethyl)aniline

C12H18N2O2

结构：O=C(O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23

HCID10472338

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(NC(=O)CC2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1

HCID53947117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64ec81a735eb4a34aab6a77e92f508d4
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[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:19])[OH:20])[CH2:15][CH2:16]2.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[NH:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:19])[NH:34][c:33]1[cH:32][cH:31][c:30]([CH2:29][NH:28][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[cH:36][cH:35]1)[CH2:15][CH2:16]2