HRID667545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID21973458

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)CNC(=O)OC(C)(C)C)C(C)CN1Cc1ccc(F)cc1

HCID77696383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0bec5cdbca74bdb99e471861431789d
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

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