HRID312535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID5324412

2,6-Dichloropurine

C5H2Cl2N4

结构：CCc1cc(C2OC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)no1

HCID18381429

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C2OC(n3cnc4c(Cl)nc(Cl)nc43)C(OC(C)=O)C2OC(C)=O)no1

HCID23448881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f89f6e2624a542eeb816d048e5c2fd87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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