HRID2311466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID104755

Silver ion (1+)

Ag+

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

HCID11149168

4-(2-iodoethyl)morpholine

C6H12INO

结构：COc1ccc(CNc2ccc3c(c2)COC3=C2C(=O)Nc3ccccc32)c(OC)c1

HCID69659359

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(CCN2CCOCC2)c2ccc3c(c2)COC3=C2C(=O)Nc3ccccc32)c(OC)c1

HCID69659202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9200946f43a1463bb098de234804dabb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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