HRID2157766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CNCCOc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1

HCID21868881

未命名化合物

HCID21868893

未命名化合物

PRODUCTS

生成物

结构：CN(CCCSCCCC(F)(F)C(F)(F)F)CCOc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1

HCID15435659

N-Methyl-3-(4,4,5,5,5-pentafluoropentylsulfanyl)-N-[2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethyl]propan-1-amine

C34H38F5NOS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2d3e2d5f85c46e98b472e2a2ce48f06
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

[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][NH:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:14][CH2:15][CH2:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[cH:10][cH:11]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[I:35][CH2:36][CH2:37][CH2:38][S:39][CH2:40][CH2:41][CH2:42][C:43]([C:44]([F:45])([F:46])[F:47])([F:48])[F:49].[K+:33].[K+:34].[OH2:50]>>[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:14][CH2:15][CH2:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[cH:10][cH:11]1)[CH2:36][CH2:37][CH2:38][S:39][CH2:40][CH2:41][CH2:42][C:43]([C:44]([F:45])([F:46])[F:47])([F:48])[F:49]