HRID298162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID42647313

1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C11H19BN2O2

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(Cl)nccc4c3=O)cc2)CCC1

HCID86671031

未命名化合物

结构：Cc1nn(C)c(C)c1-c1nccc2c(=O)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)oc12

HCID86671060

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2nccc3c(=O)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)c(-c4ccccc4)oc23)cnn1C

HCID68227656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f6b861f540f43628d7ddae477cb95e7
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

[CH3:80][n:81]1[c:82]([CH3:83])[c:84]([B:85]2[O:86][C:87]([CH3:88])([CH3:89])[C:90]([CH3:91])([CH3:92])[O:93]2)[cH:94][n:95]1.[Cl:44][c:45]1[n:46][cH:47][cH:48][c:49]2[c:50](=[O:51])[c:52](-[c:53]3[cH:54][cH:55][c:56]([C:57]4([NH:58][C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:66][CH2:67][CH2:68]4)[cH:69][cH:70]3)[c:71](-[c:72]3[cH:73][cH:74][cH:75][cH:76][cH:77]3)[o:78][c:79]12.[O:1]=[c:2]1[c:3](-[c:26]2[cH:27][cH:28][c:29]([C:32]3([NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:33][CH2:34][CH2:35]3)[cH:30][cH:31]2)[c:4](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[o:5][c:6]2[c:7](-[c:12]3[c:13]([CH3:19])[n:14][n:15]([CH3:18])[c:16]3[CH3:17])[n:8][cH:9][cH:10][c:11]12>>[O:1]=[c:2]1[c:3](-[c:26]2[cH:27][cH:28][c:29]([C:32]3([NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:33][CH2:34][CH2:35]3)[cH:30][cH:31]2)[c:4](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[o:5][c:6]2[c:7](-[c:12]3[cH:13][n:14][n:15]([CH3:18])[c:16]3[CH3:17])[n:8][cH:9][cH:10][c:11]12