HRID301766

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

HCID7366

tert-Butylbenzene

C10H14

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(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(C(=O)OC(C)(C)C)c3)ccc21

HCID86592207

未命名化合物

HCID178418790

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(C(=O)O)c3)ccc21

HCID22041351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab0a26a817e64383aa77dcaa53e6bee0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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