HRID2134305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID92298

p-(Trifluoromethoxy)phenyl isocyanate

C8H4F3NO2

HCID22502126

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)c1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

HCID23550123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae51fda1b3cc4d32a2fe124c2e86ae38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:34][C:35]#[N:36].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[ClH:1].[F:20][C:21]([O:22][c:23]1[cH:24][cH:25][c:26]([N:29]=[C:30]=[O:31])[cH:27][cH:28]1)([F:32])[F:33].[NH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[NH:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19]1>>[NH:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[NH:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19]1)[C:30]([NH:29][c:26]1[cH:25][cH:24][c:23]([O:22][C:21]([F:20])([F:32])[F:33])[cH:28][cH:27]1)=[O:31]