HRID2141753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5987

Sulfamic acid

H3NO3S

HCID8028

Tetrahydrofuran

C4H8O

HCID197148

Chlorite

ClO2-

反应SMILES：O=Cc1ncc(C(=O)NCc2ccc(F)cc2)c(O)c1OCc1ccccc1

HCID178519984

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCc1ccc(F)cc1)c1cnc(C(=O)O)c(OCc2ccccc2)c1O

HCID178522996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-641d4b7b88b944d286463f60bb1f8b5f
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

[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][c:18]1[c:19]([CH:36]=[O:37])[n:20][cH:21][c:22]([C:23](=[O:24])[NH:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[c:34]1[OH:35].[Cl+:1]([O-:2])[O-:3].[NH2:5][S:6](=[O:7])(=[O:8])[OH:9].[Na+:4].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38]>>[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][c:18]1[c:19]([C:36](=[O:37])[OH:38])[n:20][cH:21][c:22]([C:23](=[O:24])[NH:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[c:34]1[OH:35]