HRID285050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID59447309

未命名化合物

结构：CC(C)(C1CCNCC1)S(=O)(=O)c1cccc(C(F)(F)F)n1

HCID59447431

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)n1

HCID59447181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15d873b1c1ca4a6387a9ec11f2dbfc3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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