HRID1119641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID25134

Boron tribromide

BBr3

结构：COc1cc(F)ccc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID17985026

未命名化合物

HCID17985058

2-Methylquinazolin-5-amine

C9H9N3

结构：C=C(C)CC(O)(C(Nc1cccc2nc(C)ncc12)c1ccc(F)cc1OC)C(F)(F)F

HCID17985061

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)ccc1C(Nc1cccc2nc(C)ncc12)C(O)(C=C(C)C)C(F)(F)F

HCID17985063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cb51b9a94824008a9b3d4b4aa9da0eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B:34]([Br:35])([Br:36])[Br:37].[C:70]([O:71][CH2:72][CH3:73])(=[O:74])[CH3:75].[CH3:76][CH2:77][CH2:78][CH2:79][CH2:80][CH3:81].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH3:7])([CH3:8])[CH2:9][C:10]([OH:11])([C:12]([F:13])([F:14])[F:15])[CH:16]=[O:17])[c:18]([O:19][CH3:20])[cH:21]1.[F:38][c:39]1[cH:40][c:41]([O:68][CH3:69])[c:42]([CH:43]([NH:44][c:45]2[c:46]3[cH:47][n:48][c:49]([CH3:55])[n:50][c:51]3[cH:52][cH:53][cH:54]2)[C:56]([C:57]([F:58])([F:59])[F:60])([CH2:61][C:62](=[CH2:63])[CH3:64])[OH:65])[cH:66][cH:67]1.[NH2:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[c:28]1[cH:29][n:30][c:31]([CH3:32])[n:33]2>>[F:38][c:39]1[cH:40][c:41]([O:68][CH3:69])[c:42]([CH:43]([NH:44][c:45]2[c:46]3[cH:47][n:48][c:49]([CH3:55])[n:50][c:51]3[cH:52][cH:53][cH:54]2)[C:56]([C:57]([F:58])([F:59])[F:60])([CH:61]=[C:62]([CH3:63])[CH3:64])[OH:65])[cH:66][cH:67]1