HRID820562

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66591548

未命名化合物

HCID178524112

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(-c2ccccc2C(F)(F)F)[nH]n1

HCID178523505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-010b432f3e05434babc729f18cd61660
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

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