HRID92188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2783397

2-Fluoropyridine-5-boronic acid

C5H5BFNO2

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：O=C1N(Cc2ccc(C(F)(F)F)o2)c2cccc(Br)c2C12COc1cc3c(cc12)CCO3

HCID59263450

未命名化合物

结构：CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2c(Br)cccc21

HCID59263467

4'-bromo-1'-methylspiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-one

C17H12BrNO4

PRODUCTS

生成物

结构：CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2c(-c3ccc(F)nc3)cccc21

HCID59263492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9c0221ba7bc40db862e6a4844104886
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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