HRID161650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：O=C(O)c1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID23114724

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID23114664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9662e88226f14e31bf407eee1179e849
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

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