HRID2127756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID70955

4-Fluorophenyl isocyanate

C7H4FNO

HCID81531

Diisopropylethylamine

C8H19N

HCID59536307

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccccc2C(c2ccc(C(F)(F)F)cc2)N1C(=O)Nc1ccc(F)cc1

HCID59536362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a423f06c92904867b36821fbcdc0313e
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

[CH3:2][CH:3]1[NH:4][CH:5]([c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[CH2:12]1.[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:43][CH2:44][Cl:45].[ClH:1].[F:32][c:33]1[cH:34][cH:35][c:36]([N:39]=[C:40]=[O:41])[cH:37][cH:38]1.[OH2:42]>>[CH3:2][CH:3]1[N:4]([C:40]([NH:39][c:36]2[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]2)=[O:41])[CH:5]([c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[CH2:12]1