HRID1212799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID79196

Piperazine, 1-ethyl-

C6H14N2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)Nc1ccc(COS(C)(=O)=O)cn1

HCID86641141

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1

HCID66914627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8570f47e0ed64ec8a7dac11324b22fe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][O:16][S:17]([CH3:18])(=[O:19])=[O:20])[cH:13][n:14]1.[C:29](=[O:30])([O-:31])[O-:32].[CH2:21]([CH3:22])[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[Cs+:33].[Cs+:34].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][N:26]2[CH2:25][CH2:24][N:23]([CH2:21][CH3:22])[CH2:28][CH2:27]2)[cH:13][n:14]1