HRID106449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67019715

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(-c2ncc(C(=O)NC3CC3)s2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

HCID74975127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ae778442124bd7b3bfcaf82faac0b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:37][c:38]1[s:39][c:40]([C:43](=[O:44])[NH:45][CH:46]2[CH2:47][CH2:48]2)[cH:41][n:42]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[s:39][c:40]([C:43](=[O:44])[NH:45][CH:46]4[CH2:47][CH2:48]4)[cH:41][n:42]3)[cH:19][cH:20]2)[C:10](=[O:12])[O:11]1)[CH3:36]