HRID134163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID24841

Hydrogen iodide

HCID81531

Diisopropylethylamine

C8H19N

HCID9984168

未命名化合物

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3cccc(Cl)c3)C2)cc(OC)c1OC

HCID18464836

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(N2CCCN(CCC3(c4cccc(Cl)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID18464562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81d907585c7240b7b9c54eaf1c6dbd70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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