HRID308256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736266

4-Isocyanato-3,5-dimethyl-1,2-oxazole

C6H6N2O2

结构：CCC(CC)C(=O)N(c1ccccc1)C1CCN(c2ccc(N)cc2F)CC1

HCID69305096

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)C(=O)N(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1

HCID16667231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-261b09bb9efa4c81bd2c87677ee79e42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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