HRID112217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID817680

2,5-Dibromo-3-methylpyridine

C6H5Br2N

结构：CC1CNCCN1c1cc(-c2ccc(F)cc2)nc(N2CCCC2C)n1

HCID66838863

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Br)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCC3C)n2)C(C)C1

HCID66838773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03b0ce8b830549619e02e5e51b8796c4
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:27][c:28]1[n:29][cH:30][c:31]([Br:35])[cH:32][c:33]1[CH3:34].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:21]3[CH:22]([CH3:26])[CH2:23][CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH:15]([CH3:20])[CH2:16][NH:17][CH2:18][CH2:19]3)[cH:13]2)[cH:6][cH:7]1.[OH2:45]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:21]3[CH:22]([CH3:26])[CH2:23][CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH:15]([CH3:20])[CH2:16][N:17]([c:28]4[n:29][cH:30][c:31]([Br:35])[cH:32][c:33]4[CH3:34])[CH2:18][CH2:19]3)[cH:13]2)[cH:6][cH:7]1