HRID139019

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

HCID15908

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

C8H17N3

HCID21863

Furoylglycine

C7H7NO4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID16733784

(Piperazin-1-yl)[2-(trifluoromethyl)phenyl]methanone

C12H13F3N2O

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccco1

HCID59559660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12e6b6cd2de7451f9400f69c352b2e53
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

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