HRID197158

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

HCID66592088

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2ccc(F)c(C(F)(F)F)c2)CC1)c1cn(-c2cccnc2)nn1

HCID44235738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c5221a872674ee4b908822bc8a903b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[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].[F:57][c:58]1[c:59]([C:71]([F:72])([F:73])[F:74])[cH:60][c:61]([O:62][CH:63]2[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]2)[cH:69][cH:70]1.[NH2:28][c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1.[n:10]1[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[cH:20]2)[cH:13][cH:14][cH:15]1>>[n:10]1[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:66]3[CH2:65][CH2:64][CH:63]([O:62][c:61]4[cH:60][c:59]([C:71]([F:72])([F:73])[F:74])[c:58]([F:57])[cH:70][cH:69]4)[CH2:68][CH2:67]3)[cH:20]2)[cH:13][cH:14][cH:15]1