HRID1136338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(N)ccc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1

HCID178428489

未命名化合物

结构：CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1

HCID178482156

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(C)c1

HCID178482158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-588f2fa2fc1b48ebb117d66f81ee2966
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

[CH3:24][CH:25]1[CH2:26][N:27]([CH2:28][c:29]2[cH:30][cH:31][c:32]([NH:33][CH3:34])[cH:35][cH:36]2)[CH2:37][CH2:38][N:39]1[C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46].[NH2:1][c:2]1[cH:3][c:4]([CH3:23])[c:5]([CH2:8][N:9]2[CH2:10][CH:11]([CH3:22])[N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([CH3:23])[c:5]([CH2:8][N:9]2[CH2:10][CH:11]([CH3:22])[N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:6][cH:7]1)[CH3:24]