HRID157834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

反应SMILES：CC(C)CN(C(CO)CCCNC(=O)C(N)Cc1cccc2ccccc12)S(=O)(=O)c1ccc(N)cc1

HCID18009027

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)CN(C(CO)CCCNC(=O)C(Cc1cccc2ccccc12)NC(=O)OCC(F)(F)F)S(=O)(=O)c1ccc(N)cc1

HCID68649572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cd0673b8285f4709a2cc7a29bdef6039
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

[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[K+:57].[K+:58].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[O-:59][C:60]([O-:61])=[O:62].[OH:38][CH2:39][C:40]([F:41])([F:42])[F:43]>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12)[C:52]([O:38][CH2:39][C:40]([F:41])([F:42])[F:43])=[O:53]