HRID1122988

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

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID688281

5-[3-(Trifluoromethyl)phenyl]furan-2-carboxylic acid

C12H7F3O3

结构：NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

HCID59559629

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1

HCID25167327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6312c1332de46cc8a8db64e294b27cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:60].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[F:61][C:62]([c:63]1[cH:64][c:65](-[c:69]2[cH:70][cH:71][c:72]([C:74](=[O:75])[OH:76])[o:73]2)[cH:66][cH:67][cH:68]1)([F:77])[F:78].[NH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[CH2:18][CH2:19]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[NH:10]([CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[CH2:18][CH2:19]1)[C:74]([c:72]1[cH:71][cH:70][c:69](-[c:65]2[cH:64][c:63]([C:62]([F:61])([F:77])[F:78])[cH:68][cH:67][cH:66]2)[o:73]1)=[O:75]