HRID1229058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID67873

4-Fluorobenzotrifluoride

C7H4F4

HCID2723790

Thiourea

CH4N2S

结构：CNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1N

HCID22040526

未命名化合物

结构：Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(C(=O)OC(C)(C)C)c3)ccc21

HCID86592200

未命名化合物

HCID178418790

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(C(=O)O)c3)ccc21

HCID68431295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be0a547704c849f08185da104c5f9f2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([O:2][C:3]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:12][CH3:13])[c:14]([NH2:15])[cH:16]2)[cH:17][cH:18][n:19]1)=[O:20])([CH3:21])([CH3:22])[CH3:23].[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49](=[O:50])[c:51]1[n:52][cH:53][cH:54][c:55]([O:57][c:58]2[cH:59][c:60]3[c:61]([n:62]([CH3:77])[c:63]([NH:65][c:66]4[c:67]([F:76])[cH:68][cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[cH:71]4)[n:64]3)[cH:78][cH:79]2)[cH:56]1.[CH2:89]([Cl:90])[Cl:91].[CH3:87][OH:88].[F:27][c:28]1[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]1.[I:42][CH3:43].[N-:24]=[C:25]=[S:26].[NH2:38][C:39](=[S:40])[NH2:41].[OH:80][C:81]([C:82]([F:83])([F:84])[F:85])=[O:86]>>[O:48]=[C:49]([OH:50])[c:51]1[n:52][cH:53][cH:54][c:55]([O:57][c:58]2[cH:59][c:60]3[c:61]([n:62]([CH3:77])[c:63]([NH:65][c:66]4[c:67]([F:76])[cH:68][cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[cH:71]4)[n:64]3)[cH:78][cH:79]2)[cH:56]1