HRID86373

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734316

Bis(neopentyl glycolato)diboron

C10H20B2O4

HCID2736320

3-Bromo-2-fluorobenzotrifluoride

C7H3BrF4

HCID11150691

Tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

C13H19ClN4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nccnc2-c2cccc(C(F)(F)F)c2F)CC1

HCID68737982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f932ddb4c174dbb98f6c99ee198dfc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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