HRID144480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24841

Hydrogen iodide

HCID30165

Iodide ion

I-

HCID9984168

未命名化合物

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3ccccc3)C2)cc(OC)c1OC

HCID18464630

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID18464471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e369f88b99f64e709b438b18af838660
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

[CH2:43]([CH3:44])[O:45][CH2:46][CH2:47][n:48]1[c:49]([N:57]2[CH2:58][CH2:59][NH:60][CH2:61][CH2:62][CH2:63]2)[n:50][c:51]2[c:52]1[cH:53][cH:54][cH:55][cH:56]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][cH:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:64][C:65]#[N:66].[I-:41].[IH:42].[Na+:40]>>[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:60]3[CH2:59][CH2:58][N:57]([c:49]4[n:48]([CH2:47][CH2:46][O:45][CH2:43][CH3:44])[c:52]5[c:51]([n:50]4)[cH:56][cH:55][cH:54][cH:53]5)[CH2:63][CH2:62][CH2:61]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30]