HRID2345001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID593258

2,4-Difluorophenyl isocyanate

C7H3F2NO

HCID58010109

未命名化合物

PRODUCTS

生成物

结构：CC1CCN(C(=O)Nc2ccc(F)cc2F)CC1c1ncc2cnc3[nH]ccc3n12

HCID140572433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94f3e2e528d24420882b1e16e86053e9
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

[CH3:2][CH:3]1[CH:4]([c:9]2[n:10][cH:11][c:12]3[n:13]2[c:14]2[c:15]([n:16][cH:17]3)[nH:18][cH:19][cH:20]2)[CH2:5][NH:6][CH2:7][CH2:8]1.[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl:41][CH2:42][Cl:43].[ClH:1].[F:30][c:31]1[c:32]([N:38]=[C:39]=[O:40])[cH:33][cH:34][c:35]([F:37])[cH:36]1>>[CH3:2][CH:3]1[CH:4]([c:9]2[n:10][cH:11][c:12]3[n:13]2[c:14]2[c:15]([n:16][cH:17]3)[nH:18][cH:19][cH:20]2)[CH2:5][N:6]([C:39]([NH:38][c:32]2[c:31]([F:30])[cH:36][c:35]([F:37])[cH:34][cH:33]2)=[O:40])[CH2:7][CH2:8]1