HRID215299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(NC(=O)c3cccnc3Cl)cc(C(F)(F)F)c2)CC1

HCID21959647

未命名化合物

HCID66688505

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(COc2cc(NC(=O)c3cccnc3Cl)ccc2C(C)(C)C)CC1

HCID86586069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46149d0cbf8c4224abd6aa81f741fe85
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2)[cH:7][c:8]([NH2:11])[cH:9][cH:10]1.[C:21]([N:22]1[CH2:23][CH2:24][CH:25]([O:26][c:27]2[cH:28][c:29]([C:30]([F:31])([F:32])[F:33])[cH:34][c:35]([NH:36][C:46](=[O:47])[c:48]3[c:49]([Cl:54])[n:50][cH:51][cH:52][cH:53]3)[cH:37]2)[CH2:38][CH2:39]1)([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2)[cH:7][c:8]([NH:11][C:46](=[O:47])[c:48]2[c:49]([Cl:54])[n:50][cH:51][cH:52][cH:53]2)[cH:9][cH:10]1