HRID89362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID81531

Diisopropylethylamine

C8H19N

HCID2775675

2-methyl-6-(trifluoromethyl)nicotinoyl chloride

C8H5ClF3NO

HCID68681575

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1C(=O)NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1

HCID68684298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a83e68f87e9f4484aa6428df8c45ea9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[CH3:28].[CH3:29][c:30]1[c:31]([C:32](=[O:33])[Cl:34])[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]1.[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH:1]1([CH2:4][S:5](=[O:6])(=[O:7])[CH:8]2[CH2:9][CH2:10][C:11]([CH2:14][CH:15]3[CH2:16][CH2:17]3)([CH2:18][NH2:19])[CH2:12][CH2:13]2)[CH2:2][CH2:3]1.[Cl:44][CH2:45][Cl:46].[OH2:43]>>[CH:1]1([CH2:4][S:5](=[O:6])(=[O:7])[CH:8]2[CH2:9][CH2:10][C:11]([CH2:14][CH:15]3[CH2:16][CH2:17]3)([CH2:18][NH:19][C:32]([c:31]3[c:30]([CH3:29])[n:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:35]3)=[O:33])[CH2:12][CH2:13]2)[CH2:2][CH2:3]1