HRID2153719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

结构：CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC([n+]5ccccc5)CCC4(C)C3CCC21C

HCID178442663

未命名化合物

2 次

PRODUCTS

生成物

HCID1118

Sulfuric acid

H2O4S

结构：CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC([K])CCC4(C)C3CCC21C

HCID178442662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7074dca30a7647c9bd719da41a12d78f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:40][CH:41]([CH2:42][CH2:43][CH2:44][CH:45]([CH:46]1[C:47]2([CH3:48])[C:49](=[C:50]3[CH:51]([CH2:52][CH2:53]2)[C:54]2([CH3:55])[CH:56]([CH2:57][CH:58]([n+:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)[CH2:65][CH2:66]2)[CH2:67][CH2:68]3)[C:69](=[O:70])[CH2:71]1)[CH3:72])[CH3:73].[CH3:6][CH:7]([CH3:8])[CH2:9][CH2:10][CH2:11][CH:12]([CH3:13])[CH:14]1[CH2:15][C:16](=[O:39])[C:17]2=[C:18]3[CH2:19][CH2:20][CH:21]4[CH2:22][CH:23]([n+:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:24][CH2:25][C:26]4([CH3:27])[CH:28]3[CH2:29][CH2:30][C:31]12[CH3:32].[Cl-:74].[K+:75].[OH2:76].[S:1](=[O:2])(=[O:3])([O-:4])[O-:5]>>[CH3:6][CH:7]([CH3:8])[CH2:9][CH2:10][CH2:11][CH:12]([CH3:13])[CH:14]1[CH2:15][C:16](=[O:39])[C:17]2=[C:18]3[CH2:19][CH2:20][CH:21]4[CH2:22][CH:23]([K:75])[CH2:24][CH2:25][C:26]4([CH3:27])[CH:28]3[CH2:29][CH2:30][C:31]12[CH3:32].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]