HRID135039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C1CCNCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID59447409

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID25255689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51e014ed51c24cb7a7ecb69c8035763f
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

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