HRID687433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID180

Acetone

C3H6O

HCID280

Carbon dioxide

CO2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2724942

未命名化合物

HCID4770984

4-iodo-2,5-dimethylaniline

C8H10IN

PRODUCTS

生成物

HCID18405209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f89d721c0fc42a7abc18b25a0276725
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[C:46](=[O:47])=[O:48].[CH3:11][C:12]([CH3:13])=[O:14].[CH3:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([CH3:10])[c:7]([I:9])[cH:8]1.[CH3:55][C:56](=[O:57])[OH:58].[Na+:39].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:54].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25]1>>[CH3:1][c:2]1[c:3]([NH:4][CH:12]([CH3:11])[CH3:13])[cH:5][c:6]([CH3:10])[c:7]([I:9])[cH:8]1