HRID1119848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)cc3C(=O)NC)n2)cc1)OCC

HCID49821189

未命名化合物

结构：CCN(CC)CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204670

N,N-Diethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethan-1-amine

C15H28BN3O2

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(CCN(CC)CC)c4)cc3C(=O)NC)n2)cc1)OCC

HCID58292980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9193cf4e4a0e43fcb1c42f1b17cc0d84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:35]([NH:36][CH3:37])=[O:38])[c:5]([NH:8][c:9]2[n:10][c:11]([NH:19][c:20]3[cH:21][cH:22][c:23]([CH2:24][P:25]([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])=[O:32])[cH:33][cH:34]3)[n:12][cH:13][c:14]2[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1.[CH2:39]([CH3:40])[N:41]([CH2:42][CH2:43][n:44]1[n:45][cH:46][c:47]([B:49]2[O:50][C:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[O:57]2)[cH:48]1)[CH2:58][CH3:59]>>[c:2]1(-[c:47]2[cH:46][n:45][n:44]([CH2:43][CH2:42][N:41]([CH2:39][CH3:40])[CH2:58][CH3:59])[cH:48]2)[cH:3][c:4]([C:35]([NH:36][CH3:37])=[O:38])[c:5]([NH:8][c:9]2[n:10][c:11]([NH:19][c:20]3[cH:21][cH:22][c:23]([CH2:24][P:25]([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])=[O:32])[cH:33][cH:34]3)[n:12][cH:13][c:14]2[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1