HRID303370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

2 次

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID330448

1-(Diphenylmethyl)azetidin-3-ol

C16H17NO

HCID518888

2-Fluoro-5-(trifluoromethyl)phenol

C7H4F4O

PRODUCTS

生成物

结构：Fc1ccc(C(F)(F)F)cc1OC1CN(C(c2ccccc2)c2ccccc2)C1

HCID19906227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c31dc474e2f471d8857ba7d988640d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][S:27](=[O:28])(=[O:29])[Cl:30].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH:61]([O:62][CH:63]([CH3:64])[CH3:65])[CH3:66].[ClH:31].[F:39][c:40]1[c:41]([OH:50])[cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]1.[Na+:52].[OH-:51].[OH2:67].[c:1]1([CH:7]([N:8]2[CH2:9][CH:10]([OH:12])[CH2:11]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([N:8]2[CH2:9][CH:10]([O:12][c:41]3[c:40]([F:39])[cH:45][cH:44][c:43]([C:46]([F:47])([F:48])[F:49])[cH:42]3)[CH2:11]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1