HRID1201883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10009

3-Pyridinamine

C5H6N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66592012

未命名化合物

HCID66592215

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1)c1cn(-c2cccnc2)nn1

HCID57874450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1755b827974742cab9e862b674ea96a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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