HRID2344722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

HCID17998906

N,N-Dimethyl-3-{[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propan-1-amine

C16H27BN2O3

结构：FC(F)c1nc2ccccc2n1-c1nc(Cl)cc(N2CCOCC2)n1

HCID44249259

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCOc1ccc(-c2cc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cn1

HCID49869213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e3bdc9c69fe46288dcc0915ec90f5fe
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

[CH3:26][N:27]([CH2:28][CH2:29][CH2:30][O:31][c:32]1[n:33][cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1)[CH3:47].[Cl:1][c:2]1[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1>>[c:2]1(-[c:35]2[cH:34][n:33][c:32]([O:31][CH2:30][CH2:29][CH2:28][N:27]([CH3:26])[CH3:47])[cH:37][cH:36]2)[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1