HRID677635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID28486

Lithium ion

Li+

HCID61778

Bisulfate anion

HO4S-

HCID5062348

未命名化合物

HCID32217502

未命名化合物

结构：CON(C)C(=O)C(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

HCID59799812

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1ccc(C(F)(F)F)nc1CC(=O)C(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

HCID77156773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-367637084a634203b8ea8a1007818f61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[c:8]([CH3:17])[n:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1)=[O:18].[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40]([NH:41][CH:42]([CH2:43][c:44]1[c:45]([F:51])[cH:46][cH:47][c:48]([F:50])[cH:49]1)[C:52]([N:53]([O:54][CH3:55])[CH3:56])=[O:57])=[O:58].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:19][N:20]([CH3:21])[CH2:22][CH2:23][N:24]([CH3:25])[CH3:26].[CH3:28][CH:29]([N-:30][CH:31]([CH3:32])[CH3:33])[CH3:34].[Li+:27].[Na+:64].[OH2:70].[S:59](=[O:60])(=[O:61])([OH:62])[O-:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[c:8]([CH2:17][C:52]([CH:42]([NH:41][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:58])[CH2:43][c:44]2[c:45]([F:51])[cH:46][cH:47][c:48]([F:50])[cH:49]2)=[O:57])[n:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1)=[O:18]