HRID89952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID23114559

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID23114867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bf671d0d565425fa5140c1ba6b2e30e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:47][N:48]([CH3:49])[CH2:50][C:51]([OH:52])=[O:53].[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]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]([CH2:18][NH2:19])[cH:16][n:17]2)[c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[cH:6][cH:7]1.[Cl:63][CH2:64][Cl:65].[ClH:35]>>[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]([CH2:18][NH:19][C:51]([CH2:50][N:48]([CH3:47])[CH3:49])=[O:52])[cH:16][n:17]2)[c:20]2[c:21]([F:27])[cH:22][cH:23][c:24]([F:26])[cH:25]2)[cH:6][cH:7]1