HRID664758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID204484

Propylphosphonic acid

C3H9O3P

结构：NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID2783165

3,5-bis(trifluoromethyl)benzenesulfonamide

C8H5F6NO2S

结构：O=C(NC1CCCCC1)C1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1

HCID68443812

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCCCC1)C1CCN(C(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)cc2)CC1

HCID86597099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5998fa349354259920e8b16ed545e84
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

[CH2:8]([P:9]([OH:10])([OH:11])=[O:12])[CH2:13][CH3:14].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([C:23](=[O:24])[OH:25])[N:26]2[CH2:27][CH2:28][CH:29]([C:32]([NH:33][CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]3)=[O:40])[CH2:30][CH2:31]2)[cH:20][cH:21]1.[F:41][C:42]([c:43]1[cH:44][c:45]([S:53](=[O:54])(=[O:55])[NH2:56])[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]1)([F:57])[F:58].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73]>>[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([C:23](=[O:24])[NH:56][S:53]([c:45]2[cH:44][c:43]([C:42]([F:41])([F:57])[F:58])[cH:48][c:47]([C:49]([F:50])([F:51])[F:52])[cH:46]2)(=[O:54])=[O:55])[N:26]2[CH2:27][CH2:28][CH:29]([C:32]([NH:33][CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]3)=[O:40])[CH2:30][CH2:31]2)[cH:20][cH:21]1