HRID161812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7498

alpha-Bromotoluene

C7H7Br

结构：CC(C)(C)OC(=O)C1(C)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21

HCID69600879

未命名化合物

结构：CC(C)(C)OC(=O)C1CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21

HCID76136427

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1(Cc2ccccc2)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21

HCID69601014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa6ec56e92104840b608622923cfa4fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:58][CH2:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([CH3:29])[CH2:9][CH2:10][c:11]2[n:12]1[c:13](=[O:28])[c:14]([NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[cH:15][n:16]2.[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38]([NH:39][c:40]1[c:41](=[O:42])[n:43]2[c:54]([n:55][cH:56]1)[CH2:53][CH2:52][CH:44]2[C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])=[O:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([CH2:29][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:9][CH2:10][c:11]2[n:12]1[c:13](=[O:28])[c:14]([NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[cH:15][n:16]2