HRID149260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID9935

Benzoic acid, 2-fluoro-

C7H5FO2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCN)CC2)n1

HCID69026067

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCNC(=O)c3ccccc3F)CC2)n1

HCID11719690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ccaa810850c4a139842fc42fd875066
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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