HRID1543666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6569

Methyl ethyl ketone

C4H8O

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

结构：FC(F)(F)c1ccc2c(c1)N(CCCCl)c1ccccc1S2

HCID74294

10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine

C16H13ClF3NS

HCID20295332

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4d3d26bfe41403a80e48ef17ab52331
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:40]([C:41]([CH3:42])=[O:43])[CH3:44].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[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][Cl:20])([F:21])[F:22].[I-:46].[NH:30]1[CH2:31][CH2:32][CH:33]([O:36][CH2:37][CH2:38][OH:39])[CH2:34][CH2:35]1.[Na+:45]>>[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:30]1[CH2:31][CH2:32][CH:33]([O:36][CH2:37][CH2:38][OH:39])[CH2:34][CH2:35]1)([F:21])[F:22]