HRID123318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC1(C)OB(c2ccnc(N3CCOCC3)c2F)OC1(C)C

HCID16414237

4-[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

C15H22BFN2O3

反应SMILES：Fc1ccc(F)c(CN2CCNc3ncc(I)cc32)c1Cl

HCID57885868

未命名化合物

PRODUCTS

产物

反应SMILES：Fc1ccc(F)c(CN2CCNc3ncc(-c4ccnc(N5CCOCC5)c4F)cc32)c1Cl

HCID57885816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-492e47a5d71741ae8326f698948e8c77
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

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