HRID153165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID947

Nitrogen

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8078

Cyclohexane

C6H12

HCID12924679

未命名化合物

HCID14032420

未命名化合物

PRODUCTS

产物

HCID13785333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-75cb04d9f4cf410598453ca7e9b3e897
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH2:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[CH3:78][CH2:79][O:80][CH2:81][CH3:82].[Cl-:58].[K+:59].[N:1]#[N:2].[OH:16][c:17]1[cH:18][nH:19][c:20](-[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:21]1.[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57].[OH:9][C:10]([C:11]([F:12])([F:13])[F:14])=[O:15].[S:29](=[O:30])(=[O:31])([c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[NH:39][CH:40]([CH3:41])[C:42](=[O:43])[Cl:44].[c:71]1([CH3:72])[cH:73][cH:74][cH:75][cH:76][cH:77]1.[cH:3]1[cH:4][cH:5][n:6][cH:7][cH:8]1>>[O:16]([c:17]1[cH:18][nH:19][c:20](-[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:21]1)[C:42]([CH:40]([NH:39][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1)[CH3:41])=[O:43]