HRID160857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：Cc1cc(C(F)(F)F)ccc1NC(=O)C(C)(C)C

HCID22414475

未命名化合物

HCID85604726

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CNC(Cc1cc(C(F)(F)F)ccc1NC(=O)C(C)(C)C)c1sccc1C

HCID19096191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8573bbd97fff4e7da089f51501573387
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

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