HRID1116972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1C(=O)COc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

HCID53217205

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one

C15H20BNO4

结构：CC1Cc2ccc(Br)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402317

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-499ad7afe87844a8b18d193020d2a29e
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][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2.[CH3:27][N:28]1[C:29](=[O:47])[CH2:30][O:31][c:32]2[c:33]1[cH:34][c:35]([B:38]1[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]1)[cH:36][cH:37]2>>[c:2]1(-[c:35]2[cH:34][c:33]3[c:32]([cH:37][cH:36]2)[O:31][CH2:30][C:29](=[O:47])[N:28]3[CH3:27])[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2