HRID168455

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

HCID9589

3-Acetylpyridine

C7H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID11138538

3-[3-(trifluoromethyl)phenoxy]azetidine

C10H10F3NO

HCID178525883

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccnc2)[nH]n1

HCID178523557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9896d33d9ec049d1b166f1612cca77bd
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

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