HRID181561

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

HCID8071

未命名化合物

HCID10433

Cyclohexane-1,3-diol

C6H12O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID58016796

未命名化合物

PRODUCTS

产物

HCID58280173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3da6816cddf14d5cb80937671f1e6b5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:56]([N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[CH:3]1([OH:10])[CH2:4][CH:5]([OH:9])[CH2:6][CH2:7][CH2:8]1.[Cl:11][c:12]1[c:13]2[c:14]([n:15][cH:16][n:17]1)[o:18][c:19](-[c:29]1[c:30]([F:35])[cH:31][cH:32][cH:33][cH:34]1)[c:20]2-[c:21]1[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]1.[ClH:36].[Na+:2].[OH-:1].[OH2:50].[S:51]([O-:52])([OH:53])(=[O:54])=[O:55]>>[CH:3]1([OH:10])[CH2:4][CH:5]([O:9][c:12]2[c:13]3[c:14]([n:15][cH:16][n:17]2)[o:18][c:19](-[c:29]2[c:30]([F:35])[cH:31][cH:32][cH:33][cH:34]2)[c:20]3-[c:21]2[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]2)[CH2:6][CH2:7][CH2:8]1