查数据/反应详情

HRID2140477

反应详情

EQUATION

反应方程式

HRID 2140477 的结构方程式

REACTANTS

反应物

2

结构：Cc1cnc(F)c(Br)c1

3-Bromo-2-fluoro-5-methylpyridine

C6H5BrFN

结构：O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCNCC2

未命名化合物

PRODUCTS

生成物

1

结构：Cc1cnc(F)c(N2CCC3(CC2)CCN(c2ccc(OC(F)(F)F)cc2)C3=O)c1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef40eeecc4f148cc90aa7f1b78a26276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:23][c:24]1[c:25]([F:31])[n:26][cH:27][c:28]([CH3:30])[cH:29]1.[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[C:11](=[O:20])[C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[cH:8][cH:9]1)([F:21])[F:22]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[C:11](=[O:20])[C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][N:17]([c:24]2[c:25]([F:31])[n:26][cH:27][c:28]([CH3:30])[cH:29]2)[CH2:18][CH2:19]3)[cH:8][cH:9]1)([F:21])[F:22]

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