HRID1119299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22021769

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC2C(C1)c1cc(Br)cc3c1N2CC3

HCID178451541

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc3c4c(c2)C2CN(C(=O)OC(C)(C)C)CCC2N4CC3)c(C(C)C)c1

HCID178488399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40099a0d9b584f38bb6e149c9626a96d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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