HRID830909

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-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCC(CO)C(C)(C)C)c23)cc1

HCID58016836

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCC(COCC(=O)OC(C)(C)C)C(C)(C)C)c23)cc1

HCID58016779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ead4edaab0c4612b9487959ece69f87
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40]([CH2:41][Br:42])=[O:43].[CH2:3]([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[o:13][c:14]3[n:15][cH:16][n:17][c:18]([O:20][CH2:21][CH:22]([CH2:23][OH:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[c:19]23)[cH:9][cH:10]1.[CH2:57]([N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH3:73].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[ClH:44].[Na+:2].[OH-:1].[S:52]([O-:53])([OH:54])(=[O:55])=[O:56]>>[CH2:3]([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[o:13][c:14]3[n:15][cH:16][n:17][c:18]([O:20][CH2:21][CH:22]([CH2:23][O:24][CH2:41][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:43])[C:25]([CH3:26])([CH3:27])[CH3:28])[c:19]23)[cH:9][cH:10]1