HRID1219872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)C)no4)c3)c2cc1OC

HCID44243435

未命名化合物

HCID49841002

未命名化合物

HCID66876626

Phenyl N-[3-(1-fluoro-1-methylethyl)-5-isoxazolyl]carbamate

C13H13FN2O3

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)F)no4)c3)c2cc1OC

HCID44243472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f0bbf7907ac4a37ad90f697fb3c0208
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:42][O:43][c:44]1[cH:45][c:46]2[c:47]([cH:48][c:49]1[O:50][CH3:51])[n:52][cH:53][n:54][c:55]2[O:56][c:57]1[cH:58][c:59]([NH:60][C:61]([NH:62][c:63]2[o:64][n:65][c:66]([CH:67]([CH3:68])[CH3:69])[cH:70]2)=[O:71])[cH:72][cH:73][cH:74]1.[F:23][C:24]([CH3:25])([CH3:26])[c:27]1[n:28][o:29][c:30]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[cH:31]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([NH:19][C:33]([NH:32][c:30]4[o:29][n:28][c:27]([C:24]([F:23])([CH3:25])[CH3:26])[cH:31]4)=[O:34])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]