HRID97414

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)CN(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID67361123

未命名化合物

PRODUCTS

生成物

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

HCID86586887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-419b71892a9d4c2c905fc15c2733da88
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

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