HRID91543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID6497

Dimethyl sulfate

C2H6O4S

HCID166653

Hydride

H-

结构：COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4c(c3c2c1)C(=O)N(C)C4=O

HCID21216832

未命名化合物

结构：COc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(C)c35)C(=O)NC4=O)c2c1

HCID21216851

未命名化合物

结构：COC1=Cc2c([nH]c3c2c2c(c4c5cc(OC)ccc5n(C)c34)CN(C)C2=O)C(=O)C1

HCID86753911

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(C)c35)C(=O)N(C)C4=O)c2c1

HCID21216861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-134075d339ee4df6b415ce343e107924
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:103][N:104]([CH3:105])[CH:106]=[O:107].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]1[c:11]2[c:12]2[c:13]([c:14]3[c:15]4[cH:16][c:17]([O:24][CH3:25])[cH:18][cH:19][c:20]4[n:21]([CH3:23])[c:22]13)[C:26](=[O:30])[NH:27][C:28]2=[O:29].[CH3:31][O:32][C:33]1=[CH:61][c:60]2[c:37]([nH:38][c:39]3[c:40]4[n:41]([CH3:42])[c:43]5[c:44]([cH:45][c:46]([O:47][CH3:48])[cH:49][cH:50]5)[c:51]4[c:52]4[c:58]([c:59]32)[C:56](=[O:57])[N:54]([CH3:55])[CH2:53]4)[C:35](=[O:36])[CH2:34]1.[CH3:62][O:63][c:64]1[cH:65][cH:66][c:67]2[nH:68][c:69]3[c:70]4[nH:71][c:72]5[c:73]([cH:74][c:75]([O:76][CH3:77])[cH:78][cH:79]5)[c:80]4[c:81]4[c:88]([c:89]3[c:90]2[cH:91]1)[C:86](=[O:87])[N:84]([CH3:85])[C:82]4=[O:83].[CH3:92][I:93].[CH3:94][O:95][S:96]([O:97][CH3:98])(=[O:99])=[O:100].[H-:101].[Na+:102]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]1[c:11]2[c:12]2[c:13]([c:14]3[c:15]4[cH:16][c:17]([O:24][CH3:25])[cH:18][cH:19][c:20]4[n:21]([CH3:23])[c:22]13)[C:26](=[O:30])[N:27]([CH3:31])[C:28]2=[O:29]