HRID110786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6898

6-Chloro-o-cresol

C7H7ClO

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID330448

1-(Diphenylmethyl)azetidin-3-ol

C16H17NO

PRODUCTS

生成物

结构：Cc1cccc(Cl)c1OC1CN(C(c2ccccc2)c2ccccc2)C1

HCID15042224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c2bdf3ec4a14cb0b23e4633ff801e52
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

[Br-:49].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][S:27](=[O:28])(=[O:29])[Cl:30].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:50][CH2:51][CH2:52][CH2:53][N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66].[Cl:31][c:32]1[c:33]([OH:39])[c:34]([CH3:38])[cH:35][cH:36][cH:37]1.[Na+:41].[OH-:40].[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:33]3[c:32]([Cl:31])[cH:37][cH:36][cH:35][c:34]3[CH3:38])[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