HRID311441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(-c3ccccc3C=O)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID86607936

未命名化合物

HCID178461628

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(-c3ccccc3C(O)CC)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68812574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9388795441bb4fd686d0dbad40059b3a
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

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