HRID815022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

结构：O=Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F

HCID23132388

未命名化合物

PRODUCTS

生成物

结构：O=C(NOCCO)c1cc(C2OCCO2)c(F)c(F)c1Nc1ccc(I)cc1F

HCID59348028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e26803d02e124d449a4a71faea2623fc
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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