HRID1223458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4176318

5-tert-Butyl-o-anisidine

C11H17NO

结构：CCc1c(-c2cn(-c3cc(C(=O)OC)ccc3C)cn2)cnn1-c1ccccc1

HCID58861445

未命名化合物

PRODUCTS

生成物

结构：CCc1c(-c2cn(-c3cc(C(=O)Nc4cc(C(C)(C)C)ccc4OC)ccc3C)cn2)cnn1-c1ccccc1

HCID21097106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d06ad53f36e466cbcbd07c3f20a605d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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