HRID100503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID888

Magnesium cation

Mg+2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2734865

Triethyl 2-fluoro-2-phosphonoacetate

C8H16FO5P

HCID178519833

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(F)=Cc1cnc(NC2CCN(Cc3ccccc3)C2)c(Cl)c1

HCID178472321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e9df9cd52dc4d5f952458e65d7bed55
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-:16].[Br-:18].[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[F:15])[CH3:8].[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[N:33]1[CH2:34][CH:35]([NH:38][c:39]2[n:40][cH:41][c:42]([CH:43]=[O:44])[cH:45][c:46]2[Cl:47])[CH2:36][CH2:37]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[Mg+2:17]>>[C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])([F:15])=[CH:43][c:42]1[cH:41][n:40][c:39]([NH:38][CH:35]2[CH2:34][N:33]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:37][CH2:36]2)[c:46]([Cl:47])[cH:45]1