HRID1117656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOc1cc(C(C)(C)C#N)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455749

未命名化合物

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(=O)(=O)CC)CC1

HCID178466270

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C#N)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(=O)(=O)CC)CC1

HCID178466509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a18357d064bb4d4ea820e3da6a284cf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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