HRID292325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID14812

Phosphorus oxide (P4O10)

O10P4

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)NCC(C)(C)O)cc2n1Cc1ccccc1

HCID69226164

未命名化合物

结构：CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(C(=O)NCC(C)(C)O)cc2n1Cc1ccccn1

HCID69227964

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(C3=NCC(C)(C)O3)cc2n1Cc1ccccn1

HCID69227909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d1ad76260b144c3b26d39a25a23814b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:39]([n:40]1[c:41]2[c:42]([cH:43][cH:44][c:45]([C:46]([NH:47][CH2:48][C:49]([OH:50])([CH3:51])[CH3:52])=[O:53])[cH:54]2)[c:55]([C:56]([NH:57][CH2:58][c:59]2[cH:60][cH:61][c:62]([F:63])[c:64]([F:65])[cH:66]2)=[O:67])[c:68]1[CH:69]([CH3:70])[CH3:71])[c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH:34]([CH3:35])[CH3:36])[n:12]([CH2:27][c:28]3[n:29][cH:30][cH:31][cH:32][cH:33]3)[c:13]3[cH:14][c:15]([C:19](=[O:20])[NH:21][CH2:22][C:23]([CH3:24])([CH3:25])[OH:26])[cH:16][cH:17][c:18]23)[cH:37][cH:38]1.[O:78]=[P:79]12[O:80][P:81]3(=[O:91])[O:82][P:83](=[O:89])([O:84][P:85](=[O:88])([O:86]3)[O:87]1)[O:90]2.[cH:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH:34]([CH3:35])[CH3:36])[n:12]([CH2:27][c:28]3[n:29][cH:30][cH:31][cH:32][cH:33]3)[c:13]3[cH:14][c:15]([C:19]4=[N:21][CH2:22][C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][cH:17][c:18]23)[cH:37][cH:38]1