HRID310242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID104967

Cesium(1+)

Cs+

2 次

反应SMILES：CC(C)CC(OC(c1ccccc1)c1ccc(C(=O)N2CCNCC2)cc1)C(=O)NCC#N

HCID85089179

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)CC(OC(c1ccccc1)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)C(=O)NCC#N

HCID86605380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e678068950d44cc8b06c761b1f2c3770
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](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[O:11][CH:12]([c:13]1[cH:14][cH:15][c:16]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[cH:17][cH:18]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:33].[C:39](=[O:40])([O-:41])[O-:42].[CH3:34][S:35](=[O:36])(=[O:37])[Cl:38].[Cl:50][CH2:51][Cl:52].[Cs+:43].[Cs+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[O:11][CH:12]([c:13]1[cH:14][cH:15][c:16]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([S:35]([CH3:34])(=[O:36])=[O:37])[CH2:25][CH2:26]2)[cH:17][cH:18]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:33]