HRID1127737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(OS(=O)(=O)C(F)(F)F)c3ccccc32)CC1

HCID59398146

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(-c3ccncc3)c3ccccc32)CC1

HCID59397987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76461d711563401cbb8c85332431e596
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([N:12]([CH:13]1[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][n:21]2[c:22](=[O:39])[cH:23][c:24]([O:31][S:32]([C:33]([F:34])([F:35])[F:36])(=[O:37])=[O:38])[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]23)[CH2:17][CH2:18]1)[CH2:40][c:41]1[cH:42][c:43]2[c:44]([cH:49][cH:50]1)[O:45][CH2:46][CH2:47][O:48]2)=[O:51].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[OH2:67].[n:58]1[cH:59][cH:60][c:61]([B:64]([OH:65])[OH:66])[cH:62][cH:63]1>>[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([N:12]([CH:13]1[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][n:21]2[c:22](=[O:39])[cH:23][c:24](-[c:61]3[cH:60][cH:59][n:58][cH:63][cH:62]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]23)[CH2:17][CH2:18]1)[CH2:40][c:41]1[cH:42][c:43]2[c:44]([cH:49][cH:50]1)[O:45][CH2:46][CH2:47][O:48]2)=[O:51]