HRID1226157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

HCID2760030

(4-Methylpiperazin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

C18H27BN2O3

HCID57885864

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2ccc(-c3cnc4c(c3)C(O)CCN4)cc2)CC1

HCID57886094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5fd82cfb22c4633b1b92d19a0b79914
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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