HRID184892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1CCC(c2ccc(Nc3nc(Br)cn(C)c3=O)cc2)CC1

HCID58043947

未命名化合物

结构：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cc(F)cc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O

HCID67016232

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2cn(C)c(=O)c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cc(F)cc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O

HCID68208429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e8e3b5729ff440292ffaabdb54df338
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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