HRID108681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14317495

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(N)=O

HCID76700719

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(-c2ccc3c(c2)sc(=O)n3CCO)cc1)C(N)=O

HCID76700726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b88c2c1a419841e79241ff93e60c95dc
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[cH:39][c:40]2[c:41]([n:42]([CH2:46][CH2:47][OH:48])[c:43](=[O:45])[s:44]2)[cH:49][cH:50]1.[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:36]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:38]2[cH:39][c:40]3[c:41]([n:42]([CH2:46][CH2:47][OH:48])[c:43](=[O:45])[s:44]3)[cH:49][cH:50]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:36]