HRID281336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID2760604

4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

C13H16BF3O2

结构：Cn1ncc(NC(=O)c2nc(Br)sc2NC(=O)OC(C)(C)C)c1N1CCCC(NC(=O)OCc2ccccc2)CC1

HCID67450297

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)sc2NC(=O)OC(C)(C)C)c1N1CCCC(NC(=O)OCc2ccccc2)CC1

HCID76794437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73fb60bc262f4ec39c0c57525b61b084
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH2:13][N:14]([c:18]2[n:19]([CH3:40])[n:20][cH:21][c:22]2[NH:23][C:24](=[O:25])[c:26]2[n:27][c:28]([Br:39])[s:29][c:30]2[NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:15][CH2:16][CH2:17]1)=[O:41].[CH3:42][C:43]1([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48][B:49]([c:50]2[cH:51][c:52]([C:56]([F:57])([F:58])[F:59])[cH:53][cH:54][cH:55]2)[O:60]1.[CH3:68][C:69](=[O:70])[O-:71].[Cl:72][CH2:73][Cl:74].[K+:67].[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66].[OH2:75]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH2:13][N:14]([c:18]2[n:19]([CH3:40])[n:20][cH:21][c:22]2[NH:23][C:24](=[O:25])[c:26]2[n:27][c:28](-[c:50]3[cH:51][c:52]([C:56]([F:57])([F:58])[F:59])[cH:53][cH:54][cH:55]3)[s:29][c:30]2[NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:15][CH2:16][CH2:17]1)=[O:41]