HRID1203705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID22111640

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(CCCCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NCCO

HCID22111597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e11bf43f74464b07a95ca2dad64ba8b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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