HRID1216134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID2777420

5-chloro-2-hydroxybenzonitrile

C7H4ClNO

结构：c1ccc(C(OCC2CO2)(c2ccccc2)c2ccccc2)cc1

HCID3465228

(R)-trityl glycidyl ether

C22H20O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(Cl)ccc1OCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178509901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b82bd0da4c04b049d62e17c1c041ea1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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