HRID801676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

2 次

HCID45588187

[6-(Methoxycarbonyl)pyridin-3-yl]boronic acid

C7H8BNO4

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(Br)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1

HCID136331865

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2nc3n(c2-c2ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc2)-c2cccnc2Nc2ccccc2-3)cn1

HCID67503711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce17ff36749d4a58812fe3adca4f1891
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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