HRID2162752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NC1(c2ccc(-c3c(-c4ccccc4)oc4ccc(F)cc4c3=O)cc2)CCC1

HCID51030598

未命名化合物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-c5c[nH]nc5C(F)(F)F)cccc4c3=O)cc2)CCC1

HCID178452579

未命名化合物

PRODUCTS

生成物

结构：NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-c5c[nH]nc5C(F)(F)F)cccc4c3=O)cc2)CCC1

HCID178507111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e3da7da37c4546b75e066ff731ec55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:30]([O:31][C:32](=[O:33])[NH:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:67]4[cH:68][cH:69][cH:70][cH:71][cH:72]4)[o:49][c:50]4[c:51](-[c:58]5[c:59]([C:63]([F:64])([F:65])[F:66])[n:60][nH:61][cH:62]5)[cH:52][cH:53][cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1)([CH3:34])([CH3:35])[CH3:73].[NH2:1][C:2]1([c:3]2[cH:4][cH:5][c:6](-[c:7]3[c:8](=[O:9])[c:10]4[c:11]([cH:12][cH:13][c:14]([F:15])[cH:16]4)[o:17][c:18]3-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:25][cH:26]2)[CH2:27][CH2:28][CH2:29]1>>[NH2:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:67]4[cH:68][cH:69][cH:70][cH:71][cH:72]4)[o:49][c:50]4[c:51](-[c:58]5[c:59]([C:63]([F:64])([F:65])[F:66])[n:60][nH:61][cH:62]5)[cH:52][cH:53][cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1