HRID1224772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)C(F)(F)c1ccc(CC(N)C(O)c2cccc(Cl)c2)cc1

HCID22261485

未命名化合物

HCID22262010

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(F)(F)c1ccc(CC(NC(=O)c2cccc3c2C=CCCC3)C(O)c2cccc(Cl)c2)cc1

HCID69554068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a346ff78f5524233881fdadd93a5ef50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:16]([N:17]=[C:18]=[N:19][CH2:20][CH2:21][CH2:22][N:23]([CH3:24])[CH3:25])[CH3:26].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:15].[NH2:38][CH:39]([CH:40]([OH:41])[c:42]1[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]1)[CH2:49][c:50]1[cH:51][cH:52][c:53]([C:56]([C:57]([CH3:58])([CH3:59])[CH3:60])([F:61])[F:62])[cH:54][cH:55]1.[OH2:27].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1.[c:1]1([C:12](=[O:13])[OH:14])[cH:2][cH:3][cH:4][c:5]2[c:6]1[CH:7]=[CH:8][CH2:9][CH2:10][CH2:11]2>>[c:1]1([C:12](=[O:14])[NH:38][CH:39]([CH:40]([OH:41])[c:42]2[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]2)[CH2:49][c:50]2[cH:51][cH:52][c:53]([C:56]([C:57]([CH3:58])([CH3:59])[CH3:60])([F:61])[F:62])[cH:54][cH:55]2)[cH:2][cH:3][cH:4][c:5]2[c:6]1[CH:7]=[CH:8][CH2:9][CH2:10][CH2:11]2