HRID2155261

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID7131055

4-(1,3,4-oxadiazol-2-yl)benzoic Acid

C9H6N2O3

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(-c2nnco2)cc1

HCID25167122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f834a5a05f1e4843b7ca03104616d123
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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