HRID1143603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9828

4'-Fluoroacetophenone

C8H7FO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID1096392

未命名化合物

HCID66591548

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cc(-c2ccc(F)cc2)on1

HCID57874419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cdb93c19c6e4f60ad51e33e6f1388ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[ClH:57].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:23])[OH:24])[n:20][o:21]2)[cH:15][cH:16]1.[F:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[CH3:32])[cH:33][cH:34]1.[NH2:58][CH2:59][C:60](=[O:61])[N:62]1[CH2:63][CH2:64][CH:65]([O:68][c:69]2[cH:70][c:71]([C:75]([F:76])([F:77])[F:78])[cH:72][cH:73][cH:74]2)[CH2:66][CH2:67]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:24])[NH:58][CH2:59][C:60](=[O:61])[N:62]3[CH2:63][CH2:64][CH:65]([O:68][c:69]4[cH:70][c:71]([C:75]([F:76])([F:77])[F:78])[cH:72][cH:73][cH:74]4)[CH2:66][CH2:67]3)[n:20][o:21]2)[cH:15][cH:16]1