HRID1216075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

反应SMILES：Nc1nc(Cl)cc(OC(c2ccc(-c3cccc(F)c3)cc2)C(F)(F)F)n1

HCID58516149

未命名化合物

反应SMILES：COC(=O)C(COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID66995569

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C(COc1ccc(-c2cc(OC(c3ccc(-c4cccc(F)c4)cc3)C(F)(F)F)nc(N)n2)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID66995981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8b5cfefe082b4d4f9e9e3bf212211f9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:70](=[O:71])([O-:72])[O-:73].[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][cH:38][c:39]([O:40][CH2:41][CH:42]([C:43](=[O:44])[O:45][CH3:46])[NH:47][C:48]([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)([c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[cH:67][cH:68]2)[O:69]1.[CH3:76][CH2:77][OH:78].[Cl:1][c:2]1[n:3][c:4]([NH2:27])[n:5][c:6]([O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[cH:7]1.[Na+:74].[Na+:75].[OH2:79]>>[c:2]1(-[c:36]2[cH:37][cH:38][c:39]([O:40][CH2:41][CH:42]([C:43](=[O:44])[O:45][CH3:46])[NH:47][C:48]([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)([c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[cH:67][cH:68]2)[n:3][c:4]([NH2:27])[n:5][c:6]([O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[cH:7]1