HRID145923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67445471

未命名化合物

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

HCID72344350

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2cnc(C(=O)NC3CC3)nc2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

HCID75032354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b54fe66f9364491a8aade0986b68c3f4
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:37][c:38]1[cH:39][n:40][c:41]([C:44](=[O:45])[NH:46][CH:47]2[CH2:48][CH2:49]2)[n:42][cH:43]1.[CH3:1][C:2]([C:3]#[N:4])([CH2:5][C:6]1([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:7][CH2:8][N:9]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18]([B:21]3[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]3)[cH:19][cH:20]2)[C:10](=[O:12])[O:11]1)[CH3:36]>>[CH3:1][C:2]([C:3]#[N:4])([CH2:5][C:6]1([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:7][CH2:8][N:9]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18](-[c:38]3[cH:39][n:40][c:41]([C:44](=[O:45])[NH:46][CH:47]4[CH2:48][CH2:49]4)[n:42][cH:43]3)[cH:19][cH:20]2)[C:10](=[O:12])[O:11]1)[CH3:36]