HRID209776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID72879

Methanesulfonamide

CH5NO2S

结构：Cc1ccc(CCC(=O)N2CC(C)N(Cc3ccc(F)cc3)CC2C)c(OCC(=O)O)c1

HCID10366071

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CCC(=O)N2CC(C)N(Cc3ccc(F)cc3)CC2C)c(OCC(=O)NS(C)(=O)=O)c1

HCID10118788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-917aacc6a72f4f5caf420f36cdd3215d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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