HRID2142526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID7240

2-Chloroaniline

C6H6ClN

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID11322259

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(CCCCCCCCCC=C(F)F)Nc1ccccc1Cl

HCID14855874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1918781d86144b71b8e7c1314e449c7e
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

[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl:21][c:22]1[c:23]([NH2:24])[cH:25][cH:26][cH:27][cH:28]1.[F:5][C:6](=[CH:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[F:20].[OH2:50].[S:1]([Cl:2])([Cl:3])=[O:4]>>[F:5][C:6](=[CH:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:17](=[O:19])[NH:24][c:23]1[c:22]([Cl:21])[cH:28][cH:27][cH:26][cH:25]1)[F:20]