HRID802961

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

HCID59559598

未命名化合物

HCID178524114

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cc(-c2ccccc2F)[nH]n1

HCID178523551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7fbc6a2945b4da7be1d5a760c7434d2
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

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