HRID290373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID13551

Isopropyl methanesulfonate

C4H10O3S

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC4)cc3c2)CC1

HCID68535846

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)c4ccccc4)CC2)n3C(C)C)CC1

HCID68536609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69865360e0d94e58bb3110bd4c9212ee
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:38](=[O:39])([O-:40])[O-:41].[C:52](=[O:53])([OH:54])[O-:55].[CH3:44][S:45]([O:46][CH:49]([CH3:50])[CH3:51])(=[O:47])=[O:48].[CH3:57][C:58]#[N:59].[Cs+:42].[Cs+:43].[Na+:56].[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[c:18]3[nH:19][c:20]4[cH:21][cH:22][c:23]([C:27](=[O:28])[N:29]5[CH2:30][CH2:31][N:32]([CH:35]([CH3:36])[CH3:37])[CH2:33][CH2:34]5)[cH:24][c:25]4[cH:26]3)[CH2:14][CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[c:18]3[n:19]([CH:49]([CH3:50])[CH3:51])[c:20]4[cH:21][cH:22][c:23]([C:27](=[O:28])[N:29]5[CH2:30][CH2:31][N:32]([CH:35]([CH3:36])[CH3:37])[CH2:33][CH2:34]5)[cH:24][c:25]4[cH:26]3)[CH2:14][CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1