HRID1549771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID28928

Chloro(1,1-dimethylethyl)dimethylsilane

C6H15ClSi

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID59346859

未命名化合物

HCID72260581

未命名化合物

PRODUCTS

生成物

结构：CC(CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2F)cc(C(=O)Nc2ccn(C)n2)c1

HCID69186201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c6ad9983fe047a49eb545afc45757c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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