HRID699479

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

HCID61259

Benzene, 1-bromo-2-fluoro-

C6H4BrF

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(Nc2ccc(Br)c(F)c2)nc2cc(Oc3ccnc(C(=O)OC(C)(C)C)c3)ccc21

HCID86592202

未命名化合物

HCID178418790

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2ccc(Br)c(F)c2)nc2cc(Oc3ccnc(C(=O)O)c3)ccc21

HCID68431378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44b048e5c5d84408bf6728726c2f3a46
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

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