HRID299476

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

HCID66592215

未命名化合物

HCID178525878

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1)c1cc(-c2ccccc2)[nH]n1

HCID178523558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c58172cf7dc7431ca83cbac3145647f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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[cH:52][c:53]([O:54][CH:55]2[CH2:56][NH:57][CH2:58]2)[cH:59][c:60]([C:62]([F:63])([F:64])[F:65])[cH:61]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[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][nH: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:57]3[CH2:56][CH:55]([O:54][c:53]4[cH:52][c:51]([F:50])[cH:61][c:60]([C:62]([F:63])([F:64])[F:65])[cH:59]4)[CH2:58]3)[n:40][nH:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1