HRID1541458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID7965

Cyclohexylamine

C6H13N

HCID8028

Tetrahydrofuran

C4H8O

HCID4574913

未命名化合物

反应SMILES：CCOP(=O)(OCC)C(CC(=O)OC(C)(C)C)C(=O)O

HCID11151030

未命名化合物

反应SMILES：Cc1cc(CCC(O)S(=O)(=O)[O-])ccc1-c1ccccc1

HCID178425329

未命名化合物

PRODUCTS

产物

HCID7965

Cyclohexylamine

C6H13N

反应SMILES：Cc1cc(CCC=C(CC(=O)OC(C)(C)C)C(=O)O)ccc1-c1ccccc1

HCID69679959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-27967d98088d479cb2434181b52cd394
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34]([CH2:35][CH:36]([C:37](=[O:38])[OH:39])[P:40]([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47])=[O:48].[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:76][C:77]([OH:78])([CH3:79])[CH3:80].[K+:6].[NH2:64][CH:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[Na+:28].[Na+:63].[OH-:62].[OH2:81].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61].[OH:7][CH:8]([CH2:9][CH2:10][c:11]1[cH:12][c:13]([CH3:23])[c:14](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1)[S:24]([O-:25])(=[O:26])=[O:27]>>[CH:8]([CH2:9][CH2:10][c:11]1[cH:12][c:13]([CH3:23])[c:14](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1)=[C:36]([CH2:35][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:48])[C:37](=[O:38])[OH:39].[NH2:64][CH:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1