HRID699699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID13587995

未命名化合物

结构：COc1ccc(-n2cnnn2)cc1C(=O)N1CCC(CCOS(C)(=O)=O)(c2ccccc2)C1

HCID18464811

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2cnnn2)cc1C(=O)N1CCC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccco3)CC2)(c2ccccc2)C1

HCID9831232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e59ddf95a06428eaca19a6fec0d9153
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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