HRID2327385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID17750713

5-(Bromomethyl)-2-fluoro-1,3-dimethylbenzene

C9H10BrF

结构：Cc1cc(COCCCCCC(=O)N2C(=O)OCC2Cc2ccccc2)ccc1F

HCID68642194

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(COCCCCC(Cc2cc(C)c(F)c(C)c2)C(=O)N2C(=O)OCC2Cc2ccccc2)ccc1F

HCID68642262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ed399e7b9dc4bfc88e2893f47a16c7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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