HRID1555125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2762709

2-Methoxypyridine-3-boronic acid

C6H8BNO3

结构：O=C1c2c(c(OS(=O)(=O)C(F)(F)F)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1

HCID58928818

未命名化合物

PRODUCTS

生成物

结构：COc1ncccc1-c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

HCID58928663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d9f7a6512d544c4a0ca43e0aa25ed4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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