HRID1572444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)c(F)c1)C(=O)OC(C)(C)C

HCID23529358

未命名化合物

结构：CC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)c(F)c1)C(=O)OC(C)(C)C

HCID23529359

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)c(F)c1)C(=O)O

HCID10137400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9d4e1f67a134eaaa063eabe47f602d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH3:8])[O:9][c:10]1[cH:11][c:12]([F:34])[c:13]([CH2:16][NH:17][C:18](=[O:19])[c:20]2[c:21]([O:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[n:22][cH:23][cH:24][cH:25]2)[cH:14][cH:15]1)=[O:35].[C:36]([O:37][C:38](=[O:39])[CH:40]([O:41][c:42]1[cH:43][cH:44][c:45]([CH2:46][NH:47][C:48]([c:49]2[c:50]([O:51][c:52]3[cH:53][cH:54][c:55]4[n:56][o:57][n:58][c:59]4[cH:60]3)[n:61][cH:62][cH:63][cH:64]2)=[O:65])[c:66]([F:67])[cH:68]1)[CH3:69])([CH3:70])([CH3:71])[CH3:72]>>[O:5]=[C:6]([CH:7]([CH3:8])[O:9][c:10]1[cH:11][c:12]([F:34])[c:13]([CH2:16][NH:17][C:18](=[O:19])[c:20]2[c:21]([O:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[n:22][cH:23][cH:24][cH:25]2)[cH:14][cH:15]1)[OH:35]