HRID673344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12993042

[4-(4-Methylpiperazine-1-carbonyl)phenyl]boronic acid

C12H17BN2O3

结构：O=C(Nc1cc2ccccc2c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

HCID57732996

未命名化合物

结构：O=C(Nc1cc2ccccc2c(-c2ccccc2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

HCID57733001

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2ccc(-c3nc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)cc4ccccc34)cc2)CC1

HCID57733022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5c16bd29f854643b5ff3246dff15bfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:34][c:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[cH:42][c:43]([NH:44][C:45]([C:46]2([c:47]3[cH:48][cH:49][c:50]4[c:56]([cH:57]3)[O:55][C:52]([F:53])([F:54])[O:51]4)[CH2:58][CH2:59]2)=[O:60])[n:61]1.[CH3:62][N:63]1[CH2:64][CH2:65][N:66]([C:69](=[O:70])[c:71]2[cH:72][cH:73][c:74]([B:75]([OH:76])[OH:77])[cH:78][cH:79]2)[CH2:67][CH2:68]1.[F:1][C:2]1([F:33])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[n:18][c:19](-[c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1>>[F:1][C:2]1([F:33])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[n:18][c:19](-[c:27]5[cH:28][cH:29][c:30]([C:69]([N:66]6[CH2:65][CH2:64][N:63]([CH3:62])[CH2:68][CH2:67]6)=[O:70])[cH:31][cH:32]5)[c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1