HRID149994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID57886017

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2ccc(-c3cnc4c(c3)N(Cc3cc(F)c(F)cc3F)CCN4)cc2)CC1

HCID57886019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd86fde5ad4d49e7ae740e3ef4231eed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([C:29](=[O:30])[c:31]2[cH:32][cH:33][c:34]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:35][cH:36]2)[CH2:27][CH2:28]1.[I:1][c:2]1[cH:3][c:4]2[c:5]([n:20][cH:21]1)[NH:6][CH2:7][CH2:8][N:9]2[CH2:10][c:11]1[c:12]([F:19])[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([C:29]([N:26]3[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]3)=[O:30])[cH:36][cH:35]2)[cH:3][c:4]2[c:5]([n:20][cH:21]1)[NH:6][CH2:7][CH2:8][N:9]2[CH2:10][c:11]1[c:12]([F:19])[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]1