HRID105439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID66855387

未命名化合物

HCID66855738

N-[4-(1-Aminoethyl)-2,6-difluorophenyl]methanesulfonamide

C9H12F2N2O2S

PRODUCTS

生成物

结构：CC(C)Oc1cc(C(F)(F)F)ccc1C=CC(=O)NC(C)c1cc(F)c(NS(C)(=O)=O)c(F)c1

HCID66855632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4f59715cdd54fa087fa0c5b58a29367
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

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