HRID668827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID8471

Triethylamine

C6H15N

HCID14475

Heptanoic acid, 2-methyl-

C8H16O2

结构：OCCOC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

HCID218089

2-((1-(3-(2-(Trifluoromethyl)phenothiazin-10-yl)propyl)-4-piperidyl)oxy)ethanol

C23H27F3N2O2S

PRODUCTS

生成物

结构：CCCCCC(C)C(=O)OCCOC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

HCID53721547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0647d4b05847479cafb53e9b9f680861
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:40][CH:41]([C:42](=[O:43])[OH:44])[CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl-:39].[F:1][C:2]([c:3]1[cH:4][c:5]2[c:14]([cH:15][cH:16]1)[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[N:6]2[CH2:17][CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][CH:23]([O:26][CH2:27][CH2:28][OH:29])[CH2:24][CH2:25]1)([F:30])[F:31].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[F:1][C:2]([c:3]1[cH:4][c:5]2[c:14]([cH:15][cH:16]1)[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[N:6]2[CH2:17][CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][CH:23]([O:26][CH2:27][CH2:28][O:29][C:42]([CH:41]([CH3:40])[CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])=[O:43])[CH2:24][CH2:25]1)([F:30])[F:31]