HRID100846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID53308703

未命名化合物

结构：Cc1cc(C(=O)O)cc2c1-c1ccccc1C2(O)C(F)(F)F

HCID59492527

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CC(C(=O)N(C)C)C2)cc2c1-c1ccccc1C2(O)C(F)(F)F

HCID59493074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3541818cd78f4310808af022157911f7
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

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