HRID189115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

HCID59559629

未命名化合物

HCID178524114

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cc(-c2ccccc2F)[nH]n1

HCID178523537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b93f804a634f40b9b4af8a2db8ef9abc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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].[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.[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][N:53]([C:56]([c:57]2[c:58]([C:63]([F:64])([F:65])[F:66])[cH:59][cH:60][cH:61][cH:62]2)=[O:67])[CH2:54][CH2:55]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[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:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][N:53]([C:56]([c:57]4[c:58]([C:63]([F:64])([F:65])[F:66])[cH:59][cH:60][cH:61][cH:62]4)=[O:67])[CH2:54][CH2:55]3)[n:20][nH:21]2)[cH:13][cH:14][cH:15][cH:16]1