HRID680215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21263232

tert-Butyl (3-hydroxy-2,2-dimethylpropyl)carbamate

C10H21NO3

结构：Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12

HCID136337809

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CNC(=O)OC(C)(C)C)COc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12

HCID67230353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35b31eb8e43449d786e0407c74320ed2
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

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