HRID169286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2737593

4-Fluoro-3-(trifluoromethyl)phenylacetic acid

C9H6F4O2

结构：CCOc1ccc(-n2c(C(C)NCC3CCN(C(C)C)CC3)nc3ccccc3c2=O)cc1

HCID67201115

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(-n2c(C(C)N(CC3CCN(C(C)C)CC3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ccccc3c2=O)cc1

HCID67202793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-111a552c84ae4a088f88a9c2d194a055
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

[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7](-[n:10]2[c:11]([CH:21]([CH3:22])[NH:23][CH2:24][CH:25]3[CH2:26][CH2:27][N:28]([CH:31]([CH3:32])[CH3:33])[CH2:29][CH2:30]3)[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2=[O:20])[cH:8][cH:9]1.[CH2:78]([Cl:79])[CH2:80][Cl:81].[CH3:49][N:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[CH3:67][N:68]([CH3:69])[CH2:70][CH2:71][CH2:72][N:73]=[C:74]=[N:75][CH2:76][CH3:77].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[Cl:87][CH2:88][Cl:89].[ClH:66].[F:34][c:35]1[c:36]([C:45]([F:46])([F:47])[F:48])[cH:37][c:38]([CH2:41][C:42](=[O:43])[OH:44])[cH:39][cH:40]1.[OH:56][n:57]1[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7](-[n:10]2[c:11]([CH:21]([CH3:22])[N:23]([CH2:24][CH:25]3[CH2:26][CH2:27][N:28]([CH:31]([CH3:32])[CH3:33])[CH2:29][CH2:30]3)[C:42]([CH2:41][c:38]3[cH:37][c:36]([C:45]([F:46])([F:47])[F:48])[c:35]([F:34])[cH:40][cH:39]3)=[O:43])[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2=[O:20])[cH:8][cH:9]1