HRID121820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID21830061

未命名化合物

结构：O=C(O)c1cnc(COc2cccc(OC(F)(F)F)c2)cn1

HCID69208103

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnc(COc2cccc(OC(F)(F)F)c2)cn1

HCID69206393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5261b088d2834bb9a4df1e017c0173c8
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

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