HRID285444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)CCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID2758518

N-[3-(Dimethylamino)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C18H29BN2O3

HCID57886093

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCNC(=O)c1ccc(-c2cnc3c(c2)N(C(=O)c2ccccc2)CCN3)cc1

HCID24853014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20b51b737b8e4ac0a2139bb9469a7106
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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