HRID171984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734663

3-quinolineboronic acid

C9H8BNO2

HCID2763271

6-(Dimethylamino)pyridine-3-boronic acid

C7H11BN2O2

结构：O=C1N(Cc2ccccn2)c2cccc(Br)c2C12COc1cc3c(cc12)OCCO3

HCID59352297

未命名化合物

结构：O=C1N(C(c2ccccc2)c2ccccc2)c2cccc(Br)c2C12COc1cc3c(cc12)OCCO3

HCID59352527

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2cccc3c2C2(COc4cc5c(cc42)OCCO5)C(=O)N3Cc2ccccn2)cn1

HCID59352753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37fb403d52394d699f05892c38093f23
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

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