HRID959432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCC(NC(=O)OC(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(O)CNS(=O)(=O)c1ccccn1

HCID178446801

未命名化合物

2 次

PRODUCTS

生成物

HCID178446800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7fc018879ae475ca5cdabd0353afa4b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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