HRID141652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID61033

Propyl isocyanate

C4H7NO

结构：CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123775016

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)N1CC(c2ccc(F)cc2)C(N(C)C(=O)N(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

HCID178457904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a5b98c2d9a74fbe877b6aff016d329c
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

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