HRID805728

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

HCID72913

2-Aminobenzonitrile

C7H6N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66591548

未命名化合物

HCID66591615

1-(2-Cyanophenyl)-1H-1,2,3-triazole-4-carboxylic acid

C10H6N4O2

PRODUCTS

生成物

结构：N#Cc1ccccc1-n1cc(C(=O)NCC(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)nn1

HCID57874452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80f3fc571674436b9d4e58b56511b82d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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