HRID154516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-n2nncc2COC2CCCCO2)c1

HCID12048028

未命名化合物

结构：CC(C)N(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID69486615

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3nncc3COC3CCCCO3)c2)cc1C(F)(F)F

HCID86586889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ebedcc77baa4559ae5156c2782682d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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