HRID2329468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID43354339

未命名化合物

HCID45075544

3-(2,5-Difluorophenoxy)pyrrolidine

C10H11F2NO

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cc(F)ccc2F)C1)c1cc(-c2ccccc2)on1

HCID57874383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cea6bb4b428d449ab447914f57b66234
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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:49].[F:50][c:51]1[c:52]([O:53][CH:54]2[CH2:55][NH:56][CH2:57][CH2:58]2)[cH:59][c:60]([F:63])[cH:61][cH:62]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:10][n:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[n:18][n:19]1.[c:31]1(-[c:37]2[cH:38][c:39]([C:42](=[O:43])[NH:44][CH2:45][C:46](=[O:47])[OH:48])[n:40][o:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:31]1(-[c:37]2[cH:38][c:39]([C:42](=[O:43])[NH:44][CH2:45][C:46](=[O:48])[N:56]3[CH2:55][CH:54]([O:53][c:52]4[c:51]([F:50])[cH:62][cH:61][c:60]([F:63])[cH:59]4)[CH2:58][CH2:57]3)[n:40][o:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1