HRID207487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

反应SMILES：O=Cc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)cc1

HCID57824522

未命名化合物

HCID68627285

未命名化合物

PRODUCTS

产物

反应SMILES：COC1C(C)OC(ON=Cc2ccc(-c3cn(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)C(OC)C1OC

HCID178493563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b9e51638ff2f47fdb5dccc7a01c2aa69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:25][O:26][CH:27]1[CH:28]([O:38][NH2:39])[O:29][CH:30]([CH3:37])[CH:31]([O:35][CH3:36])[CH:32]1[O:33][CH3:34].[CH3:40][CH2:41][OH:42].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[n:10]2[cH:11][n:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([CH:19]=[O:20])[cH:21][cH:22]3)[cH:14]2)[cH:8][cH:9]1)([F:23])[F:24]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[n:10]2[cH:11][n:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([CH:19]=[N:39][O:38][CH:28]4[CH:27]([O:26][CH3:25])[CH:32]([O:33][CH3:34])[CH:31]([O:35][CH3:36])[CH:30]([CH3:37])[O:29]4)[cH:21][cH:22]3)[cH:14]2)[cH:8][cH:9]1)([F:23])[F:24]