HRID137851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID593258

2,4-Difluorophenyl isocyanate

C7H3F2NO

HCID23431240

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1ccc(NC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(F)cc1F

HCID23431219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d877b9375d9249f2922c875ce7666453
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

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])[cH:15][cH:16]1.[CH2:44]([Cl:45])[Cl:46].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[F:24][c:25]1[c:26]([N:32]=[C:33]=[O:34])[cH:27][cH:28][c:29]([F:31])[cH:30]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[N:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])[cH:15][cH:16]1)[C:33]([NH:32][c:26]1[c:25]([F:24])[cH:30][c:29]([F:31])[cH:28][cH:27]1)=[O:34]